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prostaglandin B2

PropertiesImage
MNX_IDMNXM727777 Image of MNXM727777
referencechebi:133391
formulaC20H29O4
global charge-1
mol weight333.448
InChIKeyPRFXRIUZNKLRHM-HKVRTXJWSA-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/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/p-1/b7-4-,14-12+/t17-/m0/s1
SMILESCCCCC[C@H](O)/C=C/C1=C(C/C=C\CCCC(=O)[O-])C(=O)CC1
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/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m0/s1 Image of MNXM727777
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C@@H:17](/[CH:14]=[CH:12]/[C:16]1=[C:18]([CH2:10]/[CH:7]=[CH:4]\[CH2:5][CH2:8][CH2:11][C:20](=[O:23])[OH:24])[C:19](=[O:22])[CH2:15][CH2:13]1)[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 8
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133391
chebi:133391
PRFXRIUZNKLRHM-HKVRTXJWSA-M 		prostaglandin B2
(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,8(12),13-trien-1-oate
PGB2
Prostaglandin B2
prostaglandin B2(1-)

lipidmaps:LMFA03010251
lipidmapsM:LMFA03010251
PRFXRIUZNKLRHM-HKVRTXJWSA-N 		PGB2-d4
9-oxo-15S-hydroxy-prosta-5Z,8(12),13E-trien-1-oic-3,3,4,4-d4 acid
Prostaglandin B2-d4

lipidmaps:LMFA03010018
lipidmapsM:LMFA03010018
PRFXRIUZNKLRHM-HKVRTXJWSA-N 		PGB2
15S-hydroxy-9-oxo-5Z,8(12),13E-prostatrienoic acid
FA 20:5
O2
Prostaglandin B2

seed.compound:cpd03543
seedM:cpd03543
PRFXRIUZNKLRHM-HKVRTXJWSA-M 		PGB2
Prostaglandin B2

kegg.compound:C05954
keggC:C05954
PRFXRIUZNKLRHM-HKVRTXJWSA-N 		Prostaglandin B2
PGB2

bigg.metabolite:HC02205
biggM:HC02205
PRFXRIUZNKLRHM-HKVRTXJWSA-M 		Prostaglandin-b2

reactome:R-ALL-2299721
reactomeM:R-ALL-2299721
CHEBI:28099
chebi:28099
PRFXRIUZNKLRHM-HKVRTXJWSA-N 		prostaglandin B2
(5Z,13E,15R)-15-hydroxy-9-oxoprosta-5,8(12),13-trien-1-oic acid
(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,8(12),13-trien-1-oic acid
PGB2
Prostaglandin B2

metacyc.compound:CPD-24162
metacycM:CPD-24162
PRFXRIUZNKLRHM-HKVRTXJWSA-M 		prostaglandin B2
(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,8(12),13-trien-1-oate

vmhM:HC02205
vmhmetabolite:HC02205
PRFXRIUZNKLRHM-HKVRTXJWSA-M 		prostaglandin-b2
(5Z)-7-{2-[(1E,3R)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}hept-5-enoic acid

chebi:26317
chebi:42246
chebi:8507
biggM:M_HC02205
keggC:M_C05954
seedM:M_cpd03543
vmhM:M_HC02205 		secondary/obsolete/fantasy identifier