mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC</smiles> is A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of UDP-2,3-bis[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine; major species at pH 7.3. It is also related to or classified as UDP-2,3-diacyl-alpha-D-glucosamine(2-) .
The molecule <smiles>C[C@@H](O)CCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is (2E)-oct-2-enoic acid in which the hydrogen at the 7-pro-R position is replaced by a hydroxy group.  It is also related to or classified as medium-chain fatty acid . It is also related to or classified as hydroxy monounsaturated fatty acid, (omega-1)-hydroxy fatty acid, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>O=c1c2ccccc2c(=O)c(=O)c1=O</smiles> is A member of the class of tetralins that is tetralin in which oxo groups replace the hydrogens at positions 1, 2, 3, and 4. It has the role of geroprotector. It is also related to or classified as tetralins, aromatic ketone.
The molecule <smiles>OC1(O)C(=O)c2ccccc2C(=O)C1(O)O</smiles> is A ketone hydrate that is naphthalene-1,2,3,4-tetrone in which water has been added to the keto groups at positions 2 and 3. It has been used as an antiviral agent in nasal ointment. It has the role of antibacterial agent. It has the role of antipsoriatic. It has the role of topoisomerase inhibitor. Its functional parent is naphthalene-1,2,3,4-tetrone.  It is also related to or classified as ketone hydrate . It is also related to or classified as tetralins.
The molecule <smiles>CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC</smiles> is A UDP-amino sugar having 2,3-bis[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine as the amino sugar component. It is a conjugate acid of UDP-2,3-bis[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine(2-). It is also related to or classified as UDP-2,3-diacyl-alpha-D-glucosamine .
The molecule <smiles>CCCCC\C=C/CC(OO)\C=C\C=C/CCCCCCC(O)=O</smiles> is A hydroperoxy fatty acid that is (8Z,10E,14Z)-icosatrienoic acid in which the hydroperoxy group is located at position 12. It is a conjugate acid of 12-HPE(8,10,14)TrE(1-). It is also related to or classified as long-chain fatty acid . It is also related to or classified as hydroperoxy polyunsaturated fatty acid . It is also related to or classified as icosanoid .
The molecule <smiles>O=C1CC(=O)c2ccccc12</smiles> is A member of the class of indanones that is indane in which the hydrogens at positions 2 and 4 have been replaced by oxo groups. It is also related to or classified as indanones, beta-diketone, aromatic ketone.
The molecule <smiles>CC\C=C/C\C=C/CC(OO)\C=C\C=C/C\C=C/C\C=C/CCC(O)=O</smiles> is A hydroperoxy fatty acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the hydroperoxy group is located at position 14. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. It is a conjugate acid of 14-HPDHE(1-). It is also related to or classified as hydroperoxydocosahexaenoic acid.
The molecule <smiles>[Na+].[O-]N=O</smiles> is an inorganic sodium salt having nitrite as the counterion. Used as a food preservative and antidote to cyanide poisoning. It has the role of antihypertensive agent. It has the role of poison. It has the role of antimicrobial food preservative. It has the role of food antioxidant. It has the role of antidote to cyanide poisoning. It is also related to or classified as inorganic sodium salt, nitrite salt.
The molecule <smiles>Nc1n[n+]([O-])c2ccccc2[n+]1[O-]</smiles> is A member of the class of benzotriazines that is 1,2,4-benzotriazine carrying an amino substituent at position 3 and two oxido substituents at positions 1 and 4. It has the role of antibacterial agent. It has the role of antineoplastic agent. It has the role of apoptosis inducer. Its functional parent is 1,2,4-benzotriazine.  It is also related to or classified as N-oxide . It is also related to or classified as aromatic amine, benzotriazines.
The molecule <smiles>C[C@@H](O)CCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is trans-2-decenoic acid in which the hydrogen at the 9-pro-R position is replaced by a hydroxy group.  It is also related to or classified as medium-chain fatty acid . It is also related to or classified as hydroxy monounsaturated fatty acid, (omega-1)-hydroxy fatty acid, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>[Na+].[Na+].[Na+].[Na+].Cc1cc(ccc1\N=N\c1c(O)c2c(N)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(\N=N\c2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1</smiles> is an organosulfonate salt that is the tetrasodium salt of 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid). It has the role of carcinogenic agent. It has the role of fluorochrome. It has the role of histological dye. It is also related to or classified as organic sodium salt, organosulfonate salt.
The molecule <smiles>CC(C)(C)c1cc(O)ccc1O</smiles> is A member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group. It has the role of food antioxidant. It is also related to or classified as hydroquinones .
The molecule <smiles>[O-][N+](=O)c1ccc(Cl)c2nonc12</smiles> is A benzoxadiazole that is 2,1,3-benzoxadiazole which is substituted at position 4 by chlorine and at position 7 by a nitro group. It has the role of EC 1.4.3.4 (monoamine oxidase) inhibitor. It has the role of fluorescent probe. It has the role of fluorochrome. It has the role of EC 3.6.1.3 (adenosinetriphosphatase) inhibitor.  It is also related to or classified as organochlorine compound . It is also related to or classified as C-nitro compound, benzoxadiazole.
The molecule <smiles>Cc1cc(ccc1\N=N\c1c(O)c2c(N)cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)-c1ccc(\N=N\c2c(O)c3c(N)cc(cc3cc2S(O)(=O)=O)S(O)(=O)=O)c(C)c1</smiles> is an aminonaphthalenesulfonic acid that is the free acid form of trypan blue dye. It has the role of dye. It is a conjugate acid of trypan blue(4-). It is also related to or classified as azobenzenes . It is also related to or classified as naphthols, aminonaphthalenesulfonic acid.
The molecule <smiles>OCCCCCCCCNC(=O)C(F)(F)F</smiles> is A trifluoroacetamide resulting from the formal condensation of the amino group of 8-aminooctan-1-ol with trifluoroacetic acid. It is also related to or classified as secondary carboxamide . It is also related to or classified as trifluoroacetamide.
The molecule <smiles>NCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A glycoside that consists of the linear trisaccharide beta-D-Manp-(1->2)-beta-D-Manp-(1->2)-beta-D-Manp having a 2-aminoethoxy moiety at the reducing-end anomeric centre. Its functional parent is ethanolamine. Its functional parent is beta-D-Manp-(1->2)-beta-D-Manp-(1->2)-beta-D-Manp. It is also related to or classified as glycoside .
The molecule <smiles>OS(O)(=O)=O.N[C@@H](CCONC(N)=N)C(O)=O</smiles> is an organic sulfate salt obtained by combining L-canavanine with one molar equivalent of sulfuric acid. It has the role of plant metabolite. It is also related to or classified as organic sulfate salt.
The molecule <smiles>CC(C)CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3</smiles> is A cholestanoid that is 5alpha-cholesta-8,14-dien-3beta-ol bearing two additional methyl substituents at position 4.  It is also related to or classified as 3beta-sterol . It is also related to or classified as tetracyclic triterpenoid, cholestanoid.
The molecule <smiles>Cc1cc(ccc1\N=N\c1c(O)c2c(N)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(\N=N\c2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1</smiles> is an organosulfonate oxoanion that is the tetraanionic form of trypan blue. It is also related to or classified as organosulfonate oxoanion .
The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](C)O[C@H]4O[C@@H]4[C@H](O)[C@@H](O)[C@H](C)O[C@H]4O[C@H]4[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](CO)O[C@@H](OCCN)[C@@H]5NC(C)=O)O[C@@H](C)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3NC(C)=O)O[C@@H](C)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O</smiles> is the 2-aminoethyl glycoside of an amino decasaccharide made of two alpha-L-Rhap-(1->2)-alpha-L-Rhap-(1->3)-[alpha-D-Glcp-(1->4)]-alpha-L-Rhap-(1->3)-beta-D-GlcpNAc repeating units of the Shigella flexneri serotype 2a specific polysaccharide linked (1->2). It is also related to or classified as glycoside .
The molecule <smiles>C[C@@]12C[C@@H](OC(=O)[C@H]1CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)[C@H]1O[C@@H]21)c1ccoc1</smiles> is Palmarin. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>CCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 3-phosphate(3-) arising from deprotonation of all three free phosphate OH groups of 1,2-dioctanoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-3'-phosphate); major species at pH 7.3. It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3-phosphate(3-) .
The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O[C@@H]5[C@H](O)[C@@H](O)[C@H](C)O[C@H]5O[C@H]5[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](OCCN)[C@@H]6NC(C)=O)O[C@@H](C)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O[C@@H](C)[C@H](O)[C@H]4OC(C)=O)[C@@H]3NC(C)=O)O[C@@H](C)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O</smiles> is the 2-aminoethyl glycoside of an amino decasaccharide made of two alpha-L-Rhap-(1->2)-alpha-L-Rhap-(1->3)-[alpha-D-Glcp-(1->4)]-alpha-L-Rhap-(1->3)-beta-D-GlcpNAc repeating units of the Shigella flexneri serotype 2a specific polysaccharide linked (1->2) and with the rhamnose residue four residues from the reducing end acetylated on O-3. It is also related to or classified as glycoside .
The molecule <smiles>O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1O)O)C)O[C@H]2[C@@H](O[C@H]([C@@H]([C@H]2O)O)C)O[C@H]3[C@H]([C@@H](O[C@H]([C@@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@H]5O)COC(=O)C)O[C@H]6[C@@H](O[C@H]([C@@H]([C@H]6OC(=O)C)O)C)O[C@H]7[C@@H](O[C@H]([C@@H]([C@H]7O)O)C)O[C@H]8[C@H]([C@@H](O[C@H]([C@@H]8O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)O[C@@H]%10[C@H]([C@@H](O[C@@H]([C@H]%10O)CO)OCCN)NC(=O)C)O)NC(=O)C)O</smiles> is the 2-aminoethyl glycoside of an amino decasaccharide made of two alpha-L-Rhap-(1->2)-alpha-L-Rhap-(1->3)-[alpha-D-Glcp-(1->4)]-alpha-L-Rhap-(1->3)-beta-D-GlcpNAc repeating units of the Shigella flexneri serotype 2a specific polysaccharide linked (1->2) and with the rhamnose residue four residues from the reducing end the N-acetylglucosamine residue five residues from the reducing end acetylated on O-3 and O-6 respectively. It is also related to or classified as glycoside .
The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](COC(C)=O)O[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](C)O[C@H]4O[C@@H]4[C@H](O)[C@@H](O)[C@H](C)O[C@H]4O[C@H]4[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](CO)O[C@@H](OCCN)[C@@H]5NC(C)=O)O[C@@H](C)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3NC(C)=O)O[C@@H](C)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O</smiles> is the 2-aminoethyl glycoside of an amino decasaccharide made of two alpha-L-Rhap-(1->2)-alpha-L-Rhap-(1->3)-[alpha-D-Glcp-(1->4)]-alpha-L-Rhap-(1->3)-beta-D-GlcpNAc repeating units of the Shigella flexneri serotype 2a specific polysaccharide linked (1->2) and with the N-acetylglucosamine residue five residues from the reducing end acetylated on O-6. It is also related to or classified as glycoside .
The molecule <smiles>CC(O)CCCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is undecanoic acid in which the 10-pro-R hydrogen is replaced by a hydroxy group. It is also related to or classified as medium-chain fatty acid . It is also related to or classified as (omega-1)-hydroxy fatty acid.
The molecule <smiles>NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A glycoside that consists of the linear trisaccharide beta-D-Manp-(1->2)-beta-D-Manp-(1->2)-alpha-D-Manp having a 2-aminoethoxy moiety at the reducing-end anomeric centre. Its functional parent is ethanolamine. Its functional parent is beta-D-Manp-(1->2)-beta-D-Manp-(1->2)-alpha-D-Manp. It is also related to or classified as glycoside .
The molecule <smiles>CCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) arising from deprotonation of the phosphate OH groups of 1,2-dioctanoyl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate); major species at pH 7.3. It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) .
The molecule <smiles>CC(O)CCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is trans-undec-2-enoic acid in which the 10-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is trans-undec-2-enoic acid.  It is also related to or classified as medium-chain fatty acid . It is also related to or classified as hydroxy monounsaturated fatty acid, (omega-1)-hydroxy fatty acid, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>C[C@@H](O)CCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is octanoic acid in which the 7-pro-R hydrogen has been replaced by a hydroxy group. Its functional parent is octanoic acid. It is also related to or classified as medium-chain fatty acid . It is also related to or classified as (omega-1)-hydroxy fatty acid.
The molecule <smiles>C[C@@H](O)CCCCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is trans-2-tetradecenoic acid in which the 13-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is trans-2-tetradecenoic acid.  It is also related to or classified as long-chain fatty acid . It is also related to or classified as hydroxy monounsaturated fatty acid, (omega-1)-hydroxy fatty acid, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@@H](O)COP([O-])([O-])=O)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 3-(3-sn-phosphatidyl)-sn-glycerol 1-phosphate(3-) arising from deprotonation of all three free phosphate OH groups of 1,2-dioleoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate); major species at pH 7.3. It is also related to or classified as 1-(3-sn-phosphatidyl)-sn-glycerol 3-phosphate(3-) .
The molecule <smiles>C[C@@H](O)CCCCCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is tridecanoic acid in which the 12-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is tridecanoic acid. It is also related to or classified as long-chain fatty acid . It is also related to or classified as (omega-1)-hydroxy fatty acid.
The molecule <smiles>CC(O)CCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is trans-2-dodecenoic acid in which the 11-pro-R hydrogen is replaced by a hydroxy group.  It is also related to or classified as medium-chain fatty acid . It is also related to or classified as hydroxy monounsaturated fatty acid, (omega-1)-hydroxy fatty acid, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>C[C@@H](O)CCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is capric acid in which the 9-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is decanoic acid. It is also related to or classified as medium-chain fatty acid . It is also related to or classified as (omega-1)-hydroxy fatty acid.
The molecule <smiles>C[C@@H](O)CCCCCCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is myristic acid in which the 13-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is tetradecanoic acid. It is also related to or classified as long-chain fatty acid . It is also related to or classified as (omega-1)-hydroxy fatty acid.
The molecule <smiles>CC(O)CCCCCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is trans-2-pentadecenoic acid in which the 14-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is trans-2-pentadecenoic acid.  It is also related to or classified as long-chain fatty acid . It is also related to or classified as hydroxy monounsaturated fatty acid, (omega-1)-hydroxy fatty acid, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>C[C@@H](O)CCCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is (2E)-tridec-2-enoic acid in which the 12-pro-R hydrogen is replaced by a hydroxy group.  It is also related to or classified as medium-chain fatty acid . It is also related to or classified as hydroxy monounsaturated fatty acid, (omega-1)-hydroxy fatty acid, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate(5-) arising from deprotonation of all five free phosphate OH groups of 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-3',5'-bisphosphate); major species at pH 7.3. It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate(5-) .
The molecule <smiles>CC(=O)N[C@H]1[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)C1=O</smiles> is A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of UDP-2-acetamido-2-deoxy-3-dehydro-alpha-D-glucopyranose; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) arising from deprotonation of the phosphate OH groups of 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-myo-inositol-5'-phosphate); major species at pH 7.3. It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3-phosphate(3-) . It is also related to or classified as 1,2-dipalmitoylglycero-3-phospho-(1'-D-myo-inositol-3'-phosphate)(3-) .
The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is hexadecanoic acid in which the 15-pro-R hydrogen is replaced by a hydroxy group. It is also related to or classified as 15-hydroxypalmitic acid .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is an anionic phospholipid arising from deprotonation of all three free phosphate OH groups of 1,2-dipalmitoylglycero-3-phospho-(1'-D-myo-inositol-3'-phosphate); major species at pH 7. It is also related to or classified as anionic phospholipid.
The molecule <smiles>CCCCCCCCCCCC\C=C\C(O)=O</smiles> is A pentadecenoic acid in which the olefinic double bond is at position 2 and has E configuration. It is also related to or classified as pentadecenoic acid, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is pentadecanoic acid in which the 14-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is pentadecanoic acid. It is also related to or classified as long-chain fatty acid . It is also related to or classified as (omega-1)-hydroxy fatty acid.
The molecule <smiles>C[C@@H](O)CCCCCCCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is (2E)-heptadec-2-enoic acid in which the 16-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is (2E)-2-heptadecenoic acid.  It is also related to or classified as long-chain fatty acid . It is also related to or classified as hydroxy monounsaturated fatty acid, (omega-1)-hydroxy fatty acid, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>C(=C/CCCCCCCCCCCCCC)\C(O)=O</smiles> is A heptadecenoic acid in which the olefinic double bond is at the 2-3 position. It is also related to or classified as heptadecenoic acid, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is (2E)-octadec-2-enoic acid in which the 17-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is trans-octadec-2-enoic acid.  It is also related to or classified as long-chain fatty acid . It is also related to or classified as hydroxy monounsaturated fatty acid, (omega-1)-hydroxy fatty acid, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is nonadecanoic acid in which the 18-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is nonadecanoic acid. It is also related to or classified as long-chain fatty acid . It is also related to or classified as (omega-1)-hydroxy fatty acid.
The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is octadecanoic acid (stearic acid) in which the 17-pro-R hydrogen is replaced by a hydroxy group. It is also related to or classified as hydroxyoctadecanoic acid, (omega-1)-hydroxy fatty acid.
The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is heptadecanoic acid in which the 16-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is heptadecanoic acid. It is also related to or classified as long-chain fatty acid . It is also related to or classified as (omega-1)-hydroxy fatty acid.
The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is nonadecanoic acid which has been dehydrogenated to introduce a double bond with E configuration between positions 2 and 3 and in which the pro-R hydrogen at position 17 has been replaced by a hydroxy group.  It is also related to or classified as long-chain fatty acid . It is also related to or classified as hydroxy monounsaturated fatty acid, (omega-1)-hydroxy fatty acid, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is trans-2-icosenoic acid in which the pro-R hydrogen at position 19 has been replaced by a hydroxy group. Its functional parent is trans-2-icosenoic acid.  It is also related to or classified as long-chain fatty acid . It is also related to or classified as hydroxy monounsaturated fatty acid, (omega-1)-hydroxy fatty acid, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>C[C@@H](O)CCCCCCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is (E)-hexadec-2-enoic acid in which the 15-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is (E)-hexadec-2-enoic acid.  It is also related to or classified as long-chain fatty acid . It is also related to or classified as hydroxy monounsaturated fatty acid, (omega-1)-hydroxy fatty acid, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>C[C@@H](O)CCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is valeric acid in which the 4-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is valeric acid. It is also related to or classified as short-chain fatty acid . It is also related to or classified as 4-hydroxy monocarboxylic acid, (omega-1)-hydroxy fatty acid.
The molecule <smiles>CC[C@H](O)[C@@H]1CC=C[C@@H]2CC(=O)NCCCCNCCCN12</smiles> is Palustrine. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.