mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A phosphatidylserine 38:5 that is the conjugate base of 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic. It is also related to or classified as phosphatidylserine 38:5(1-) . It is also related to or classified as 1-acyl-2-arachidonoyl-sn-glycero-3-phosphoserine(1-) .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@H](N)C(O)=O</smiles> is A 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and stearoyl respectively. Its functional parent is oleic acid. Its functional parent is octadecanoic acid. It is a conjugate acid of 1-oleoyl-2-stearoyl-sn-glycero-3-phospho-L-serine(1-). It is also related to or classified as 3-sn-phosphatidyl-L-serine .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> is A 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and palmitoleoyl respectively. Its functional parent is oleic acid. Its functional parent is palmitoleic acid. It is a conjugate acid of 1-oleoyl-2-palmitoleoyl-sn-glycero-3-phospho-L-serine(1-). It is also related to or classified as 3-sn-phosphatidyl-L-serine .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O</smiles> is A phosphatidylserine 34:1 that is the conjugate base of 1-oleoyl-2-palmitoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic. It is also related to or classified as phosphatidylserine 34:1(1-) .
The molecule <smiles>COC(=O)C(NC(C)=O)C(C)C</smiles> is A valine derivative with one of the amine hydrogens replaced by an acetyl group and the carboxylic acid hydrogen replaced by a methyl group. It has the role of metabolite. It is also related to or classified as valine derivative.
The molecule <smiles>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC(=O)CON)OCCCCCCCCCCCCCCCC</smiles> is A dialkylglycerophosphoethanolamine in which the amino group of 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine (DHPE) carries an (aminooxy)acetyl functionality. It has the role of microarray analysis reagent. Its functional parent is 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine. It is also related to or classified as dialkylglycerophosphoethanolamine.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@H](N)C(O)=O</smiles> is A 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and palmitoyl respectively. Its functional parent is hexadecanoic acid. Its functional parent is oleic acid. It is a conjugate acid of 1-oleoyl-2-palmitoyl-sn-glycero-3-phospho-L-serine(1-). It is also related to or classified as 3-sn-phosphatidyl-L-serine .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and arachidonoyl respectively. Its functional parent is arachidonic acid. Its functional parent is oleic acid. It is a conjugate acid of 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-L-serine(1-). It is also related to or classified as 3-sn-phosphatidyl-L-serine .
The molecule <smiles>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(=O)OCC\N=C/[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO)OCCCCCCCCCCCCCCCC</smiles> is an N-glycosylated dialkylglycerophosphoethanolamine in which the dialkylglycerophosphoethanolamine is 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine and the glycosylating saccharide is the branched nonasaccharide alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc, the GlcNAc residue at the reducing end of which is in the ring-opened form. It has the role of neoglycolipid probe. Its functional parent is 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine. It is also related to or classified as N-glycosylated dialkylglycerophosphoethanolamine.
The molecule <smiles>CC(C)CCC([O-])=O</smiles> is A  branched-chain saturated fatty acid anion that is pentanoate with a methyl group substituent at position 4. It has the role of metabolite.  It is also related to or classified as medium-chain fatty acid anion . It is also related to or classified as branched-chain saturated fatty acid anion.
The molecule <smiles>CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CC[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)[NH+](C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> is an anthracycline cation that is the conjugate acid of aclacinomycin N, obtained by protonation of the tertiary amino group. It is a conjugate acid of aclacinomycin N. It is a conjugate acid of aclacinomycin N zwitterion. It is also related to or classified as anthracycline cation.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O</smiles> is A phosphatidylserine 36:1 that is the conjugate base of 1-oleoyl-2-stearoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic. It is also related to or classified as phosphatidylserine 36:1(1-) .
The molecule <smiles>CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1O)n1ccc(NC(C)=O)nc1=O</smiles> is A nucleotide residue derived from N(4)-methylcytidine 5'-monophosphate. It is a conjugate acid of N(4)-acetylcytidine 5'-monophosphate(1-) residue. It is also related to or classified as nucleotide residue.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate(2-) in which the 1-acyl substituent is specified as oleoyl. It is also related to or classified as 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate(2-) .
The molecule <smiles>CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CC[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> is an anthracycline antibiotic that is aclacinomycin A in which the keto group on the trisaccharide fragment has been reduced in a stereospecific manner to the corresponding alcohol. It has the role of metabolite. It has the role of antimicrobial agent. It has the role of antineoplastic agent. Its functional parent is aklavinone. It is also related to or classified as methyl ester . It is also related to or classified as tertiary alcohol . It is also related to or classified as phenols .  It is also related to or classified as anthracycline .   It is also related to or classified as polyketide . It is also related to or classified as aminoglycoside, tetracenequinones, trisaccharide derivative.
The molecule <smiles>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC(=O)CONC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)OCCCCCCCCCCCCCCCC</smiles> is an N-glycosylated dialkylglycerophosphoethanolamine in which the dialkylglycerophosphoethanolamine is AOPE and the glycosylating saccharide is the branched nonasaccharide alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc. It has the role of neoglycolipid probe. Its functional parent is AOPE. It is also related to or classified as N-glycosylated dialkylglycerophosphoethanolamine.
The molecule <smiles>CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@@H]4O[C@@H](C)C(=O)C=C4)[C@H](C)O3)[C@H](C)O2)[NH+](C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> is an anthracycline cation that is the conjugate acid of aclacinomycin Y, obtained by protonation of the tertiary amino group. It is a conjugate acid of aclacinomycin Y. It is a conjugate acid of aclacinomycin Y zwitterion. It is also related to or classified as anthracycline cation.
The molecule <smiles>COc1cccc(C(O)=O)c1CC#N</smiles> is A nitrile that is  phenylacetonitrile substituted by a carboxy and a methoxy group at positions 1 and 3 respectively. It has the role of metabolite. Its functional parent is phenylacetonitrile. It is also related to or classified as nitrile . It is also related to or classified as methoxybenzoic acid, aromatic ether.
The molecule <smiles>CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@@H]4O[C@@H](C)C(=O)C=C4)[C@H](C)O3)[C@H](C)O2)[NH+](C)C)c2c([O-])c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> is A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of aclacinomycin Y. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has the role of antimicrobial agent. It is also related to or classified as zwitterion .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])([O-])=O</smiles> is A 1,2-diacyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-oleoyl-2-icosanoyl-sn-glycero-3-phosphate. It is also related to or classified as 1-oleoyl-2-acyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate(2-) .
The molecule <smiles>COC(=O)C(\C#N)=C1/Nc2ccccc2S1</smiles> is an alkyl cyanoacetate ester that is methyl cyanoacetate with a 1,3-benzothiazol-2(3H)-ylidene substituent at position 2. It has the role of metabolite. Its functional parent is methyl cyanoacetate. It is also related to or classified as nitrile . It is also related to or classified as methyl ester . It is also related to or classified as benzothiazoles.
The molecule <smiles>CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1</smiles> is nefazodone. It has the role of antidepressant. It has the role of analgesic. It has the role of alpha-adrenergic antagonist. It has the role of serotonergic antagonist. It has the role of serotonin uptake inhibitor. It is also related to or classified as aromatic ether, triazoles, N-alkylpiperazine, N-arylpiperazine, monochlorobenzenes.
The molecule <smiles>CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@@H]4O[C@@H](C)C(=O)C=C4)[C@H](C)O3)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> is an anthracycline antibiotic that is aclacinomycin A in which the ketone function on the trisaccharide fragment has undergone 2,3-dehydrogenation to afford the corresponding enone. It has the role of metabolite. It has the role of antimicrobial agent. Its functional parent is aklavinone. It is also related to or classified as methyl ester . It is also related to or classified as tertiary alcohol . It is also related to or classified as phenols .  It is also related to or classified as anthracycline .  It is also related to or classified as enone .  It is also related to or classified as polyketide . It is also related to or classified as aminoglycoside, tetracenequinones, trisaccharide derivative.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as oleoyl and icosanoyl (arachidoyl) respectively. Its functional parent is oleic acid. Its functional parent is icosanoic acid. It is a conjugate acid of 1-oleoyl-2-icosanoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate .
The molecule <smiles>Cc1c(C([O-])=O)c(O)cc2cc3C(=O)c4cc([O-])cc(O)c4C(=O)c3c(O)c12</smiles> is A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and 8-hydroxy groups of tetracenomycin D3. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as hydroxy monocarboxylic acid anion, phenolate anion.
The molecule <smiles>CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CC[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)[NH+](C)C)c2c([O-])c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> is A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of aclacinomycin N. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as zwitterion .
The molecule <smiles>[O-]P([O-])(=O)O[C@@H]1[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])(=O)OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])(=O)OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O</smiles> is an inositol phosphate oxoanion obtained by global deprotonation of the phosphate and diphosphate OH groups of 1,5-bis(diphospho)-1D-myo-inositol 2,3,4,6-tetrakisphosphate. It is also related to or classified as inositol phosphate oxoanion.
The molecule <smiles>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(O)=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O</smiles> is A single-stranded DNA oligonucleotide composed of three deoxythymidylic acid residues connected by 3'->5' phosphodiester linkages and terminated by a 5'-phosphate. It is also related to or classified as single-stranded DNA oligonucleotide.
The molecule <smiles>CC(C)CC(=O)N[C@H]1CCOC1=O</smiles> is an N-acyl-L-homoserine lactone having isovaleryl as the acyl substituent. It has the role of metabolite. It has the role of signalling molecule. It is also related to or classified as N-acyl-L-homoserine lactone .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as icosanoyl. Its functional parent is icosanoic acid. It is also related to or classified as 1-O-acyl-sn-glycero-3-phosphocholine . It is also related to or classified as lysophosphatidylcholine 20:0 .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(O)=O</smiles> is A 1-acyl-2-oleoyl-sn-glycero-3-phosphate(2-) in which the 1-acyl substituent is specified as arachidonoyl. Its functional parent is arachidonic acid. Its functional parent is oleic acid. It is a conjugate acid of 1-arachidonoyl-2-oleoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1-acyl-2-oleoyl-sn-glycero-3-phosphate(2-) .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])([O-])=O</smiles> is A 1-acyl-2-oleoyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-arachidonoyl-2-oleoyl-sn-glycero-3-phosphate. It is also related to or classified as 1-acyl-2-oleoyl-sn-glycero-3-phosphate(2-) .
The molecule <smiles>Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c(N)ncnc34)n3ccc(N)nc3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3ccc(N)nc3=O)O2)c(=O)[nH]c1=O</smiles> is A single-stranded DNA fragment comprised of one deoxyadenosine, four deoxycytidine, three thymidine and two deoxyguanidine residues connected by 3'->5' phosphodiester linkages in the sequence CTGCCTTCAG. It can exist as a hairpin structure, 5'-d [CTG(CCTT)CAG]-3', consisting of a four-nucleotide loop (CCTT) with a stem of three base-pairs, C-G, T-A and G-C. It is also related to or classified as single-stranded DNA oligonucleotide.
The molecule <smiles>CS(O)(=O)=O.Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C</smiles> is A methanesulfonate (mesylate) salt prepared from equimolar amounts of nelfinavir and methanesulfonic acid. It is used for treatment of HIV and also exhibits some anticancer properties. It has the role of antineoplastic agent. It has the role of HIV protease inhibitor. It is also related to or classified as methanesulfonate salt.
The molecule <smiles>Oc1ccc(C=CC(=O)N[C@H]2CCOC2=O)cc1</smiles> is an N-acyl-L-homoserine lactone having 4-coumaroyl as the acyl substituent. It has the role of metabolite. It has the role of signalling molecule. It is also related to or classified as N-acyl-L-homoserine lactone .
The molecule <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]4OCCCCCN)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</smiles> is A pentasaccharide derivative consisting of an alpha-D-glucosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-2 an alpha-L-rhamnosyl-(1->3)-[alpha-L-rhamnosyl-(1->3)-beta-D-glucosyl-(1->4)]-alpha-D-glucosyl branched tetrasaccharide unit. It is also related to or classified as glycoside . It is also related to or classified as pentasaccharide derivative.
The molecule <smiles>CC(=O)N[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O[C@H]1[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](OCCCCCN)[C@H]2O)[C@H](NC(C)=O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A hexasaccharide derivative consisting of an alpha-D-mannosyl residue beta-linked to a 5-aminopentyl group and which carries at O-3 an beta-D-glucosyl-(1->3)-[beta-D-glucosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-D-glucosyl-(1->4)]-N-acetyl-beta-D-galactosaminyl branched pentasaccharide unit. It is also related to or classified as hexasaccharide derivative.
The molecule <smiles>O=C(O[C@](COC(=O)CCCCCCCCCCC)(COP(OCC[N+](C)(C)C)(=O)[O-])[H])CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as lauroyl and arachidonoyl respectively. It is also related to or classified as 1-acyl-2-arachidonoyl-sn-glycero-3-phosphocholine . It is also related to or classified as dodecanoate ester .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate(2-) in which the 1-acyl substituent is specified as oleoyl. Its functional parent is arachidonic acid. Its functional parent is oleic acid. It is a conjugate acid of 1-oleoyl-2-arachidonoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A phosphatidylethanolamine 38:5 obtained by transfer of a proton from the amino to the phosphate group of 1-oleoyl-2-arachidonoyl-sn-glycerol-3-phosphoethanolamine. It is also related to or classified as phosphatidylethanolamine 38:5 zwitterion .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[NH3+]</smiles> is A 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the amino to the phosphate group of 1-oleoyl-sn-glycero-3-phosphoethanolamine. It is also related to or classified as oleoyl-sn-glycero-3-phosphoethanolamine zwitterion . It is also related to or classified as 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion . It is also related to or classified as lysophosphatidylethanolamine zwitterion 18:1 .
The molecule <smiles>Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C</smiles> is an aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties. It has the role of antineoplastic agent. It has the role of HIV protease inhibitor.   It is also related to or classified as phenols . It is also related to or classified as secondary alcohol . It is also related to or classified as benzamides, organic heterobicyclic compound, aryl sulfide, tertiary amino compound.
The molecule <smiles>CC(=O)N[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)[C@H](NC(C)=O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is an amino hexasaccharide comprising beta-D-glucose, N-acetyl-beta-D-galactosamine, alpha-D-glucose, N-acetyl-beta-D-galactosamine and alpha-D-mannose residues in (1->3), (1->4), (1->4) and (1->3) sequence, to the N-acetyl-beta-D-galactosamine residue contiguous to the reducing-end mannose residue of which is also linked (1->3) a further beta-D-glucose residue. It is also related to or classified as amino hexasaccharide.
The molecule <smiles>O([C@@H](COP(=O)(OCC[NH3+])[O-])COC(CCCCCCC/C=C\CCCCCCCC)=O)C(CCCCCCC/C=C\C/C=C\CCCCC)=O</smiles> is A phosphatidylethanolamine 36:3 obtained by transfer of a proton from the amino to the phosphate group of 1-oleoyl-2-linoleoyl-sn-glycerol-3-phosphoethanolamine. It is also related to or classified as phosphatidylethanolamine 36:3 zwitterion .
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](COP(O)(=O)OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](COP(O)(=O)OCCCCCN)O[C@H](O[C@H](CO)C(O)=O)[C@@H]3O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O)O[C@H](O[C@H](CO)C(O)=O)[C@@H]1O</smiles> is A dimeric disaccharide derivative formed from 2-N-acetyl-alpha-D-glucosaminopyranosyl-(1->3)-2-N-acetyl-6-(5-aminopentyl phosphoryl)-alpha-D-glucosaminopyranosyl-(1->2)-(2R)-3-hydroxypropanoate. It is also related to or classified as disaccharide derivative.
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](COP(O)(=O)OCCCCCN)O[C@H](O[C@H](CO)C(O)=O)[C@@H]1O</smiles> is A disaccharide derivative consisting of an N-acetyl-alpha-D-glucosaminyl residue linked (1->3) to an alpha-D-glucoside residue, the anomeric carbon of which is linked to O-2 of D-glyceric acid and the O-6 of which is connecteded via a phospho linkage to a 5-aminopentyl group. It is also related to or classified as disaccharide derivative.
The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O</smiles> is A glycosylglucose in which the glycosyl moiety is L-rhamnose linked alpha to C-3 of beta-D-glucose. It is also related to or classified as glycosylglucose.
The molecule <smiles>O(C(=O)CCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[NH3+]</smiles> is A phosphatidylethanolamine 36:2 obtained by transfer of a proton from the amino to the phosphate group of 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine. It is also related to or classified as phosphatidylethanolamine 36:2 zwitterion .
The molecule <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@H](O[C@H]4[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</smiles> is A branched pentasaccharide consisting of alpha-L-rhamnose, beta-D-glucose and two alpha-D-glucose residues in (1->3), (1->4) and (1->2) sequence, to the non-reducing-end glucose residue of which is also linked (1->3) an alpha-L-rhamnose residue. It is also related to or classified as pentasaccharide.