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prostaglandin C1

MNXM4789 is deprecated and here replaced by MNXM1108268
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108268 Image of MNXM1108268
referencechebi:57399
formulaC20H31O4
global charge-1
mol weight335.464
InChIKeyPUIBPGHAXSCVRF-QHFGJBOXSA-M
InChIInChI=1S/C20H32O4/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/h12-14,17-18,21H,2-11,15H2,1H3,(H,23,24)/p-1/b14-12+/t17-,18+/m0/s1
SMILESCCCCC[C@H](O)/C=C/C1=CCC(=O)[C@@H]1CCCCCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H32O4/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/h12-14,17-18,21H,2-11,15H2,1H3,(H,23,24)/b14-12+/t17-,18+/m0/s1 Image of MNXM1108268
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C@@H:17](/[CH:14]=[CH:12]/[C:16]1=[CH:13][CH2:15][C:19](=[O:22])[C@@H:18]1[CH2:10][CH2:7][CH2:4][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)8
in models (compartimentalized) 8
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57399
chebi:57399
PUIBPGHAXSCVRF-QHFGJBOXSA-M 		prostaglandin C1
(13E,15S)-15-hydroxy-9-oxoprosta-11,13-dienoate
prostaglandin C1 anion
prostaglandin C1(1-)

kegg.compound:C04686
keggC:C04686
PUIBPGHAXSCVRF-QHFGJBOXSA-N 		(13E)-(15S)-15-Hydroxy-9-oxoprosta-11,13-dienoate
Prostaglandin C1

lipidmaps:LMFA03010160
lipidmapsM:LMFA03010160
PUIBPGHAXSCVRF-QHFGJBOXSA-N 		PGC1
9-oxo-15S-hydroxy-11Z,13E-prostadienoic acid
FA 20:4
O2
Prostaglandin C1

bigg.metabolite:HC02206
biggM:HC02206
PUIBPGHAXSCVRF-QHFGJBOXSA-M 		Prostaglandin C1(1-)
hmdb:HMDB0060104
PUIBPGHAXSCVRF-QHFGJBOXSA-N 		Prostaglandin C1
(13E)-(15S)-15-Hydroxy-9-oxoprosta-11,13-dienoate
(13E)-(15S)-15-Hydroxy-9-oxoprosta-11,13-dienoic acid
7-[(1R)-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-2-en-1-yl]heptanoic acid
PGC1
prostaglandin C1

seed.compound:cpd02854
seedM:cpd02854
PUIBPGHAXSCVRF-QHFGJBOXSA-M 		Prostaglandin C1
(13E)-(15S)-15-Hydroxy-9-oxoprosta-11,13-dienoate
(13E)-(15S)-15-hydroxy-9-oxoprosta-11,13-dienoate
prostaglandin C1

vmhM:HC02206
vmhmetabolite:HC02206
PUIBPGHAXSCVRF-QHFGJBOXSA-M 		prostaglandin C1(1-)
7-[(1R)-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-2-en-1-yl]heptanoic acid

CHEBI:15546
chebi:15546
PUIBPGHAXSCVRF-QHFGJBOXSA-N 		prostaglandin C1
(13E)-(15S)-15-Hydroxy-9-oxoprosta-11,13-dienoate
(13E,15S)-15-hydroxy-9-oxoprosta-11,13-dienoic acid
PGC1
Prostaglandin C1

metacyc.compound:CPD-1912
metacycM:CPD-1912
PUIBPGHAXSCVRF-JIEUTYIZSA-M 		prostaglandin C1
(13E)-(15S)-15-hydroxy-9-oxoprosta-11,13-dienoate

hmdb:HMDB60104
chebi:10822
chebi:144
chebi:26318
biggM:M_HC02206
keggC:M_C04686
seedM:M_cpd02854
vmhM:M_HC02206 		secondary/obsolete/fantasy identifier