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prostaglandin C2

PropertiesImage
MNX_IDMNXM7703 Image of MNXM7703
referencechebi:133392
formulaC20H29O4
global charge-1
mol weight333.448
InChIKeyCMBOTAQMTNMTBD-KLASNZEFSA-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/h4,7,12-14,17-18,21H,2-3,5-6,8-11,15H2,1H3,(H,23,24)/p-1/b7-4-,14-12+/t17-,18+/m0/s1
SMILESCCCCC[C@H](O)/C=C/C1=CCC(=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/h4,7,12-14,17-18,21H,2-3,5-6,8-11,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-,18+/m0/s1 Image of MNXM7703
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]/[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)7
in models (compartimentalized) 8
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133392
chebi:133392
CMBOTAQMTNMTBD-KLASNZEFSA-M 		prostaglandin C2
(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,11,13-trien-1-oate
PGC2
Prostaglandin C2
prostaglandin C2(1-)

lipidmaps:LMFA03010133
lipidmapsM:LMFA03010133
CMBOTAQMTNMTBD-KLASNZEFSA-N 		PGC2
9-oxo-15S-hydroxy-5Z,11Z,13E-prostatrienoic acid
FA 20:5
O2
Prostaglandin C2

seed.compound:cpd03544
seedM:cpd03544
CMBOTAQMTNMTBD-KLASNZEFSA-M 		PGC2
Prostaglandin C2

kegg.compound:C05955
keggC:C05955
CMBOTAQMTNMTBD-KLASNZEFSA-N 		Prostaglandin C2
PGC2

bigg.metabolite:HC02207
biggM:HC02207
CMBOTAQMTNMTBD-KLASNZEFSA-M 		Prostaglandin-c2
hmdb:HMDB0060095
CMBOTAQMTNMTBD-KLASNZEFSA-N 		Prostaglandin-c2
(5Z)-7-[(1R)-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-2-en-1-yl]hept-5-enoic acid
PGC2
prostaglandin C2

metacyc.compound:CPD-24163
metacycM:CPD-24163
CMBOTAQMTNMTBD-KLASNZEFSA-M 		prostaglandin C2
(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,11,13-trien-1-oate

reactome:R-ALL-2299724
reactomeM:R-ALL-2299724
CHEBI:27555
chebi:27555
CMBOTAQMTNMTBD-KLASNZEFSA-N 		prostaglandin C2
(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,11,13-trien-1-oic acid
PGC2
Prostaglandin C2

hmdb:HMDB60095
chebi:26319
chebi:8508
biggM:M_HC02207
keggC:M_C05955
seedM:M_cpd03544 		secondary/obsolete/fantasy identifier