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prostaglandin A2

PropertiesImage
MNX_IDMNXM7702 Image of MNXM7702
referencechebi:133370
formulaC20H29O4
global charge-1
mol weight333.448
InChIKeyMYHXHCUNDDAEOZ-FOSBLDSVSA-M
InChIInChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/p-1/b7-4-,14-12+/t16-,17-,18+/m0/s1
SMILESCCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1 Image of MNXM7702
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C@@H:17](/[CH:14]=[CH:12]/[C@H:16]1[CH:13]=[CH:15][C:19](=[O:22])[C@@H:18]1[CH2:10]/[CH:7]=[CH:4]\[CH2:5][CH2:8][CH2:11][C:20](=[O:23])[OH:24])[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)14
in models (compartimentalized) 16
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133370
chebi:133370
MYHXHCUNDDAEOZ-FOSBLDSVSA-M 		prostaglandin A2
(5E)-7-{2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-3-en-1-yl}hept-5-enoate
(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,10,13-trien-1-oate
PGA2
prostaglandin 2
prostaglandin A2(1-)

seed.compound:cpd03542
seedM:cpd03542
MYHXHCUNDDAEOZ-FOSBLDSVSA-M 		PGA2
(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,10,13-trien-1-oate
Medullin
Prostaglandin A2
prostaglandin A2

lipidmaps:LMFA03010035
lipidmapsM:LMFA03010035
MYHXHCUNDDAEOZ-FOSBLDSVSA-N 		PGA2
9-oxo-15S-hydroxy-5Z,10Z,13E-prostatrienoic acid
FA 20:5
O2
Prostaglandin A2

bigg.metabolite:HC02203
biggM:HC02203
MYHXHCUNDDAEOZ-FOSBLDSVSA-M 		Prostaglandin A2

CHEBI:186015
chebi:186015
MYHXHCUNDDAEOZ-FOSBLDSVSA-N 		Prostaglandin A2-d4
(Z)-3,3,4,4-tetradeuterio-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
hmdb:HMDB0002752
MYHXHCUNDDAEOZ-FOSBLDSVSA-N 		Prostaglandin A2
(+)-Prostaglandin a2
(15S)-PGA2
(15S)-Prostaglandin a2
(5Z)-7-[(1R,2S)-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
(5Z,13E,15S)-15-Hydroxy-9-oxoprosta-5, 10,13-triene-1-Oic acid
(5Z,13E,15S)-15-Hydroxy-9-oxoprosta-5,10,13-trien-1-Oic acid
(Z)-7-((1R,2S)-2-((e)-(3S)-3-Hydroxyoct-1-enyl)-5-oxocyclopent-3-enyl)hept-5-enoic acid
15(S)-Hydroxy-9-oxo-5-cis-10,13-trans-prostatrienoate
15(S)-Hydroxy-9-oxo-5-cis-10,13-trans-prostatrienoic acid
15(S)-Hydroxy-9-oxo-5-cis-10,13-trans-prostenoate
15(S)-Hydroxy-9-oxo-5-cis-10,13-trans-prostenoic acid
15(S)-Prostaglandin a2
15alpha-hydroxy-9-oxo-cis-5,10,trans-13-prostatrienecarboxylate
15alpha-hydroxy-9-oxo-cis-5,10,trans-13-prostatrienecarboxylic acid
15alpha-hydroxy-9-oxo-cis-5,10,trans-13-prostatrienoate
15alpha-hydroxy-9-oxo-cis-5,10,trans-13-prostatrienoic acid
5,6-cis-PGA2
7-[2-(3-Hydroxy-1-octenyl)-5-oxo-3-cyclopenten-1-yl]-5-heptenoic acid
Medullin
NSC 165561
PGA2
prostaglandin A2

vmhM:C05953
vmhmetabolite:C05953
MYHXHCUNDDAEOZ-FOSBLDSVSA-N 		Prostaglandin A2
(5Z)-7-[(1R,2S)-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid

sabiork.compound:8295
sabiorkM:8295
kegg.compound:C05953
keggC:C05953
MYHXHCUNDDAEOZ-FOSBLDSVSA-N 		Prostaglandin A2
Medullin
PGA2

SLM:000597651
slm:000597651
MYHXHCUNDDAEOZ-FOSBLDSVSA-M 		prostaglandin A2

reactome:R-ALL-2142755
reactomeM:R-ALL-2142755
reactome:R-ALL-2299726
reactomeM:R-ALL-2299726
CHEBI:27820
chebi:27820
MYHXHCUNDDAEOZ-FOSBLDSVSA-N 		prostaglandin A2
(+)-Prostaglandin A(sup 2)
(15S)-PGA2
(15S)-Prostaglandin A2
(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,10,13-trien-1-oic acid
5,6-cis-PGA2
Medullin
PGA2
Prostaglandin A2

metacyc.compound:CPD-21228
metacycM:CPD-21228
MYHXHCUNDDAEOZ-FOSBLDSVSA-M 		prostaglandin A2
(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,10,13-trien-1-oate
PGA2

hmdb:HMDB0062524
hmdb:HMDB02752
hmdb:HMDB62524
chebi:26315
chebi:8505
biggM:M_HC02203
keggC:M_C05953
seedM:M_cpd03542
vmhM:M_C05953 		secondary/obsolete/fantasy identifier