anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at C-1 and C-2 are hexadecanoyl and (13Z)-docosenoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is erucic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .
The molecule CCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@@H](O)CO)OC(=O)CCCCC CCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@@H](O)CO)OC(=O)CCCCC is A phosphatidylglycerol 12:0 in which the acyl groups at C-1 and C-2 are both hexanoyl. It is also related to or classified as phosphatidylglycerol 12:0  . It is also related to or classified as hexanoate ester  .
The molecule CCCCCCCCCCC[C@@H](O)[C@H](C)N CCCCCCCCCCC[C@@H](O)[C@H](C)N is A sphingoid that is tetradecasphinganine in which the terminal hydroxy group has been replaced by a hydrogen. It has the role of metabolite . Its functional parent is tetradecasphinganine .  It is also related to or classified as sphingoid  . It is also related to or classified as amino alcohol .
The molecule COC1=C(Cc2c[nH]c3c(CC=C(C)C)cccc23)N2O[Fe-3]34(ON5C(Cc6c[nH]c7c(CC=C(C)C)cccc67)=C(OC)N=C(C)C5=[O+]3)(ON3C(Cc5c[nH]c6c(CC=C(C)C)cccc56)=C(OC)N=C(C)C3=[O+]4)[O+]=C2C(C)=N1 COC1=C(Cc2c[nH]c3c(CC=C(C)C)cccc23)N2O[Fe-3]34(ON5C(Cc6c[nH]c7c(CC=C(C)C)cccc67)=C(OC)N=C(C)C5=[O+]3)(ON3C(Cc5c[nH]c6c(CC=C(C)C)cccc56)=C(OC)N=C(C)C3=[O+]4)[O+]=C2C(C)=N1 is an iron(III) hydroxamate based pigment isolated from Aspergillus terreus and later found in Aspergillus fumigatus. It has the role of metabolite .  It is also related to or classified as iron(III) hydroxamate  . It is also related to or classified as indoles , pyrazines .
The molecule CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is A 3-oxo-fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (9Z,12Z,15Z,18Z,21Z)-3-oxotetracosapentaenoyl-CoA. It is also related to or classified as 3-oxo-fatty acyl-CoA(4-)  .
The molecule NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O is A dipeptide formed from glycine and L-arginine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCN)[C@H](O)\C=C\CCCCCCCCC CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCN)[C@H](O)\C=C\CCCCCCCCC is an N-acyl-C14 sphingosine 1-phosphoethanolamine where the acyl group is octadecanoyl. It has the role of metabolite . It is also related to or classified as N-acyl-C14 sphingosine 1-phosphoethanolamine  .
The molecule OC[C@@]1(O)CO[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)[C@@H]1O OC[C@@]1(O)CO[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)[C@@H]1O is A UDP-D-apiose in which the anomeric centre of the apiose fragment has alpha-configuration. It is a conjugate acid of UDP-alpha-D-apiose(2-) . It is also related to or classified as UDP-D-apiose  .
The molecule OC[C@@]1(O)CO[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)[C@@H]1O OC[C@@]1(O)CO[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)[C@@H]1O is A UDP-D-apiose(2-) in which the anomeric centre of the apiose fragment has alpha-configuration. It is also related to or classified as UDP-D-apiose(2-)  .
The molecule COC1=C(Cc2c[nH]c3c(cccc23)\C=C\C(C)=C)N2O[Fe-3]34(ON5C(Cc6c[nH]c7c(cccc67)\C=C\C(C)=C)=C(OC)N=C(C)C5=[O+]3)(ON3C(Cc5c[nH]c6c(cccc56)\C=C\C(C)=C)=C(OC)N=C(C)C3=[O+]4)[O+]=C2C(C)=N1 COC1=C(Cc2c[nH]c3c(cccc23)\C=C\C(C)=C)N2O[Fe-3]34(ON5C(Cc6c[nH]c7c(cccc67)\C=C\C(C)=C)=C(OC)N=C(C)C5=[O+]3)(ON3C(Cc5c[nH]c6c(cccc56)\C=C\C(C)=C)=C(OC)N=C(C)C3=[O+]4)[O+]=C2C(C)=N1 is an iron(III) hydroxamate that is astechrome in which the 3-methylbut-2-en-1-yl groups have been oxidised to 3-methylbuta-1,3-dien-1-yl groups. First isolated from Aspergillus fumigatus. It has the role of metabolite . Its functional parent is astechrome .  It is also related to or classified as iron(III) hydroxamate  . It is also related to or classified as indoles , pyrazines .
The molecule [H][C@]12C3C(=C)C=C(C)C1[C@]3(C)CCCC2(C)C [H][C@]12C3C(=C)C=C(C)C1[C@]3(C)CCCC2(C)C is A sesquiterpene that is tricyclo[5.4.0.0(2,8)]undec-9-ene substituted by methyl groups at positions 2, 6, 6, and 9 as well as a methylidene group at position 11. It has the role of metabolite . It is also related to or classified as sesquiterpene  . It is also related to or classified as polycyclic olefin , bridged compound .
The molecule CC\C=C/C\C=C/C\C=C/C\C=C/CC[C@@H](O)[C@H](C)N CC\C=C/C\C=C/C\C=C/C\C=C/CC[C@@H](O)[C@H](C)N is A sphingoid that is 1-deoxysphinganine having cis-double bonds at positions 6, 9, 12, and 15. It has the role of metabolite . Its functional parent is 1-deoxysphinganine .  It is also related to or classified as sphingoid  . It is also related to or classified as amino alcohol .
The molecule NCC(=O)N[C@@H](CCC(N)=O)C(O)=O NCC(=O)N[C@@H](CCC(N)=O)C(O)=O is A dipeptide formed from glycine and L-glutamine residues. It has the role of metabolite . It has the role of protective agent . It is also related to or classified as dipeptide  .
The molecule NCC(=O)N[C@@H](CC(N)=O)C(O)=O NCC(=O)N[C@@H](CC(N)=O)C(O)=O is A dipeptide formed from glycine and L-asparagine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule CCCCCCCCCCCCC(O)\C=C\[C@@H](O)[C@@H](N)CO CCCCCCCCCCCCC(O)\C=C\[C@@H](O)[C@@H](N)CO is A sphingoid that is sphingosine with an additional hydroxy group at position 6. It has the role of metabolite . Its functional parent is sphingosine .   It is also related to or classified as sphingoid  . It is also related to or classified as amino alcohol , triol .
The molecule CC(CC\C=C(/C)CCCC(C)C(O)CC=C(C)C)C[C@@H](O)[C@@H](N)CO CC(CC\C=C(/C)CCCC(C)C(O)CC=C(C)C)C[C@@H](O)[C@@H](N)CO is an amino alcohol that is 2-aminooctadeca-8,16-diene-1,3,14-triol substituted by methyl groups at positions 5, 9, 13 and 17 (the 2S,3R,8E stereoisomer). It has the role of metabolite .  It is also related to or classified as sphingoid  . It is also related to or classified as amino alcohol .
The molecule NCC(=O)N[C@H](CC(O)=O)C(O)=O NCC(=O)N[C@H](CC(O)=O)C(O)=O is A dipeptide formed from glycine and D-aspartic acid residues. It is also related to or classified as dipeptide  .
The molecule C[C@H](O)[C@@H](NC(=O)CN)C(O)=O C[C@H](O)[C@@H](NC(=O)CN)C(O)=O is A dipeptide formed from glycine and D-threonine residues. It is also related to or classified as dipeptide  .
The molecule C[C@@H](NC(=O)CN)C(O)=O C[C@@H](NC(=O)CN)C(O)=O is A dipeptide formed from glycine and D-alanine residues. It is also related to or classified as dipeptide  .
The molecule NCC(=O)N[C@H](CO)C(O)=O NCC(=O)N[C@H](CO)C(O)=O is A dipeptide formed from glycine and D-serine residues. It is also related to or classified as dipeptide  .
The molecule CC(C)[C@@H](NC(=O)CN)C(O)=O CC(C)[C@@H](NC(=O)CN)C(O)=O is A dipeptide formed from glycine and D-valine residues. It is also related to or classified as dipeptide  .
The molecule CC[C@H](C)[C@H](NC(=O)CN)C(O)=O CC[C@H](C)[C@H](NC(=O)CN)C(O)=O is A dipeptide formed from glycine and L-isoleucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule CC(C)C[C@H](NC(=O)CNC(=O)CN)C(O)=O CC(C)C[C@H](NC(=O)CNC(=O)CN)C(O)=O is A tripeptide composed of glycine, glycine and L-leucine residues joined in sequence. It has the role of metabolite . It is also related to or classified as tripeptide  .
The molecule CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C is A cholesterol ester with the acyl group as (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenyl. It has the role of mouse metabolite . Its functional parent is (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid . It is also related to or classified as CE(22:5)  .
The molecule CC(C)C[C@@H](NC(=O)CNC(=O)CN)C(O)=O CC(C)C[C@@H](NC(=O)CNC(=O)CN)C(O)=O is A tripeptide composed of glycine, glycine and D-leucine residues joined in sequence. It is also related to or classified as tripeptide  .
The molecule NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O is A tripeptide composed of glycine, glycine and L-phenylalanine residues joined in sequence. It has the role of metabolite . It is also related to or classified as tripeptide  .
The molecule [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12COC(C)=O)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12COC(C)=O)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O is A hydroxycalciol that is calcitriol with an acetoxy group at C-18. It has the role of metabolite . Its functional parent is calcitriol .  It is also related to or classified as hydroxycalciol  . It is also related to or classified as triol , D3 vitamins .
The molecule [H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12COC(C)=O)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C [H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12COC(C)=O)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C is A hydroxycalciol that is calciol with an additional hydroxy group at position C-1 and an acetoxy group at C-18. It has the role of metabolite . It is also related to or classified as diol  . It is also related to or classified as hydroxycalciol  . It is also related to or classified as D3 vitamins .
The molecule C[C@H](NC(=O)CNC(=O)CN)C(O)=O C[C@H](NC(=O)CNC(=O)CN)C(O)=O is A tripeptide composed of glycine, glycine and L-alanine residues joined in sequence. It has the role of metabolite . It is also related to or classified as tripeptide  .
The molecule CC(C)[C@H](NC(=O)CN)C(O)=O CC(C)[C@H](NC(=O)CN)C(O)=O is A dipeptide formed from glycine and L-valine residues. It has the role of human metabolite . It is also related to or classified as dipeptide  .
The molecule CC(C)c1nc2nc(N)nc(N)c2nc1C(C)C CC(C)c1nc2nc(N)nc(N)c2nc1C(C)C is A member of the class of pteridines that is pteridine in which the hydrogens at positions 2 and 4 are replaced by amino groups, whilst those at positions 6 and 7 are replaced by isopropyl groups. It has the role of vibriostatic agent . It has the role of antifolate . It is also related to or classified as pteridines , primary amino compound .
The molecule C[C@@H](O)[C@H](NC(=O)CN)C(O)=O C[C@@H](O)[C@H](NC(=O)CN)C(O)=O is A dipeptide formed from glycine and L-threonine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule CCC(O)CCCCCCC[C@@H]1CC[C@@H](O)[C@@H](CO)N1 CCC(O)CCCCCCC[C@@H]1CC[C@@H](O)[C@@H](CO)N1 is A  piperidine alkaloid that is a hydroxypiperidine with a hydroxy group at position C-3, a hydroxymethyl group at C-2, and an 8-hydroxydecyl group at C-6. It has the role of metabolite . It is also related to or classified as piperidine alkaloid , hydroxypiperidine .
The molecule CO[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO CO[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO is A D-aldohexose that is D-glucose in which the hydrogen of the hydroxy group at position 3 has been substituted by a methyl group. It is a non-metabolisable glucose analogue that is not phosphorylated by hexokinase and is used as a marker to assess glucose transport by evaluating its uptake within various cells and organ systems. Its functional parent is aldehydo-D-glucose . It is also related to or classified as D-aldohexose derivative .
The molecule N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(O)=O)C(O)=O N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(O)=O)C(O)=O is A dipeptide formed from L-histidine and L-glutamic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(O)=O)C(O)=O N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(O)=O)C(O)=O is A dipeptide formed from L-histidine and L-aspartic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule OC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O OC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O is A member of the class of benzoic acids that is benzoic acid in which the hydrogens at positions 3 and 5 are replaced by nitro groups. It is also related to or classified as benzoic acids , C-nitro compound .
The molecule NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O is A dipeptide formed from glycine and L-tryptophan residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule C[C@@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)C[C@@H]1O C[C@@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)C[C@@H]1O is A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of GDP-beta-L-colitose. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule [O-]C(=O)C(Cl)=C [O-]C(=O)C(Cl)=C is A monocarboxylic acid anion that is the conjugate base of 2-chloroacrylic acid obtained by deprotonation of the carboxy group. It has the role of nitric oxide synthase activator . It is also related to or classified as monocarboxylic acid anion  .
The molecule [H][C@]1(CNC(=[NH2+])N1)C[C@H]([NH3+])C([O-])=O [H][C@]1(CNC(=[NH2+])N1)C[C@H]([NH3+])C([O-])=O is an alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of L-enduracididine. It is a conjugate acid of L-enduracididine . It is also related to or classified as alpha-amino-acid cation .
The molecule [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])C=C2)[C@H](C)CCC(O)=O [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])C=C2)[C@H](C)CCC(O)=O is A dihydroxy-5beta-cholanic acid that is deoxycholic acid with a double bond at position 6. It has the role of metabolite . Its functional parent is deoxycholic acid . It is also related to or classified as dihydroxy-5beta-cholanic acid , bile acid .
The molecule [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@@H](OCCCCO)[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@@H](OCCCCO)[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O is A hydroxycalciol that is calcitriol with a 4-hydroxybutoxy group at position 2. It has the role of metabolite . Its functional parent is calcitriol .  It is also related to or classified as hydroxycalciol  . It is also related to or classified as tetrol , D3 vitamins .
The molecule NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O is A tripeptide composed of one glycine and two L-phenylalanine residues joined in sequence. It has the role of metabolite . It is also related to or classified as tripeptide  .
The molecule [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)[C@H](C)OC[C@H](O)C(C)C [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)[C@H](C)OC[C@H](O)C(C)C is A hydroxy seco-steroid that is calciol with C-22 replaced with an oxygen atom, and additional hydroxy groups at positions 1 and 24. It has the role of metabolite . Its functional parent is calciol . It is also related to or classified as ether  . It is also related to or classified as triol , hydroxy seco-steroid .
The molecule C[C@H](Cl)C([O-])=O C[C@H](Cl)C([O-])=O is A monocarboxylic acid anion that is the conjugate base of (S)-2-chloropropanoic acid obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion  .
The molecule C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O is A dTDP-D-fucose(2-) in which the anomeric centre of the fucose fragment has alpha-configuration. It is also related to or classified as dTDP-D-fucose(2-)  .
The molecule C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)CC1=O C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)CC1=O is A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of GDP-4-dehydro-3,6-dideoxy-alpha-D-mannose. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule NC(=[NH2+])NCC[C@H](O)[C@H]([NH3+])C([O-])=O NC(=[NH2+])NCC[C@H](O)[C@H]([NH3+])C([O-])=O is an alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of (3S)-3-hydroxy-L-arginine. It is a conjugate acid of (3S)-3-hydroxy-L-arginine . It is also related to or classified as alpha-amino-acid cation .
The molecule OS(=O)(=O)c1cccc(c1)S(O)(=O)=O OS(=O)(=O)c1cccc(c1)S(O)(=O)=O is A member of the class of benzenesulfonic acids consisting of benzene carrying two sulfo groups at positions 1 and 3 respectively. It has the role of metabolite . It is also related to or classified as benzenesulfonic acids .
The molecule O[C@H](C(=O)C([O-])=O)c1ccccc1 O[C@H](C(=O)C([O-])=O)c1ccccc1 is A 2-oxo monocarboxylic acid anion that is the conjugate base of (S)-3-hydroxy-2-oxo-3-phenylpropanoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as 2-oxo monocarboxylic acid anion  . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(O)=O CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(O)=O is A prostanoid that is prostaglandin F1alpha lacking two methylenes in the carboxyalkyl chain and bearing an oxo group at the 6-position. It has the role of metabolite . Its functional parent is prostaglandin F1alpha . It is also related to or classified as prostanoid  . It is also related to or classified as secondary alcohol  . It is also related to or classified as 4-oxo monocarboxylic acid .
The molecule C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O is A dTDP-D-fucose in which the anomeric centre of the fucose fragment has alpha-configuration. Its functional parent is alpha-D-fucose . It is a conjugate acid of dTDP-alpha-D-fucose(2-) . It is also related to or classified as dTDP-D-fucose  .
The molecule OS(=O)(=O)c1ccccc1S(O)(=O)=O OS(=O)(=O)c1ccccc1S(O)(=O)=O is A member of the class of benzenesulfonic acids consisting of benzene carrying two sulfo groups at positions 1 and 2 respectively. It is also related to or classified as benzenesulfonic acids .
The molecule CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CC(O)=O CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CC(O)=O is A prostanoid that is prostaglandin E2 lacking two methylenes in the carboxyalkyl chain. It has the role of metabolite .  It is also related to or classified as prostanoid  . It is also related to or classified as secondary alcohol  . It is also related to or classified as monocarboxylic acid , cyclic ketone .
The molecule C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)CC1=O C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)CC1=O is A GDP-sugar having 4-dehydro-3,6-dideoxy-alpha-D-mannose as the sugar fragment. Its functional parent is GDP-alpha-D-mannose . It is a conjugate acid of GDP-4-dehydro-3,6-dideoxy-alpha-D-mannose(2-) . It is also related to or classified as GDP-sugar  .
The molecule [H][C@@]12CC[C@H](N1C(=O)C2)C([O-])=O [H][C@@]12CC[C@H](N1C(=O)C2)C([O-])=O is A monocarboxylic acid anion that is the conjugate base of (3S,5S)-carbapenam-3-carboxylic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion  .
The molecule OS(=O)(=O)c1ccc(cc1)S(O)(=O)=O OS(=O)(=O)c1ccc(cc1)S(O)(=O)=O is A member of the class of benzenesulfonic acids consisting of benzene carrying two sulfo groups at position 1 and 4 respectively. It is also related to or classified as benzenesulfonic acids .
The molecule C[C@H](Cl)C(O)=O C[C@H](Cl)C(O)=O is A monocarboxylic acid that is propanoic acid substituted at position 2 by a chloro group (the S-enantiomer). It has the role of neurotoxin . Its functional parent is propionic acid . It is a conjugate acid of (S)-2-chloropropanoate . It is also related to or classified as monocarboxylic acid , chlorocarboxylic acid .
The molecule CC(O)CCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(O)=O CC(O)CCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(O)=O is A prostanoid that is 2,3-dinor-6-oxo-prostaglandin F1alpha in which a hydrogen at position 19 is replaced by a hydroxy group. It has the role of metabolite . Its functional parent is 2,3-dinor-6-oxoprostaglandin F1alpha . It is also related to or classified as prostanoid  . It is also related to or classified as secondary alcohol  . It is also related to or classified as 4-oxo monocarboxylic acid .
The molecule C1CNC2CCCN2C1 C1CNC2CCCN2C1 is an azabicycloalkane that consists of a hexahydropyrimidine ring fused with a cyclopentane ring at positions 2 and 3. It has the role of metabolite . It is also related to or classified as azabicycloalkane .
The molecule CC(C)=CCc1cc(ccc1O)C(=O)Nc1c([O-])c2ccc(O)cc2oc1=O CC(C)=CCc1cc(ccc1O)C(=O)Nc1c([O-])c2ccc(O)cc2oc1=O is an organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of 8-desmethylnovobiocic acid. It is also related to or classified as organic anion .
The molecule [H][C@]1(CNC(=[NH2+])N1)[C@H](O)[C@H]([NH3+])C([O-])=O [H][C@]1(CNC(=[NH2+])N1)[C@H](O)[C@H]([NH3+])C([O-])=O is an alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of (3S)-3-hydroxy-L-enduracididine. It is a conjugate acid of (3S)-3-hydroxy-L-enduracididine . It is also related to or classified as alpha-amino-acid cation .
The molecule OC(=O)C(Cl)=C OC(=O)C(Cl)=C is A chlorocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by chlorine. It has the role of metabolite . Its functional parent is acrylic acid . It is a conjugate acid of 2-chloroacrylate . It is also related to or classified as chlorocarboxylic acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule Cn1cnc2nc[nH]c2c1=O Cn1cnc2nc[nH]c2c1=O is A methylhypoxanthine that is hypoxanthine with the methyl group at position 1. It has the role of human urinary metabolite . It has the role of rat metabolite . It is also related to or classified as methylhypoxanthine  .
The molecule C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)C[C@@H]1O C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)C[C@@H]1O is A GDP-sugar having beta-L-colitose as the sugar fragment. Its functional parent is colitose . It is a conjugate acid of GDP-beta-L-colitose(2-) . It is also related to or classified as GDP-sugar  .
The molecule [H][C@]1(CNC(=N)N1)C[C@H](N)C(O)=O [H][C@]1(CNC(=N)N1)C[C@H](N)C(O)=O is an L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is substituted by a 2-iminoimidazolidin-4-yl group. It is also related to or classified as imidazolidines , non-proteinogenic L-alpha-amino acid , L-histidine derivative .
The molecule OCCC(O)(O)C(O)=O OCCC(O)(O)C(O)=O is A hydroxybutyric acid that is butyric acid  substituted by hydroxy groups at positions 2, 2 and 4. It has the role of metabolite . Its functional parent is butyric acid . It is also related to or classified as hydroxybutyric acid , triol .