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prostaglandin J2

PropertiesImage
MNX_IDMNXM7704 Image of MNXM7704
referencechebi:133396
formulaC20H29O4
global charge-1
mol weight333.448
InChIKeyUQOQENZZLBSFKO-POPPZSFYSA-M
InChIInChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/p-1/b7-4-,14-13+/t16-,17-,18+/m0/s1
SMILESCCCCC[C@H](O)/C=C/[C@H]1C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1 Image of MNXM7704
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:6][CH2:10][C@@H:17](/[CH:13]=[CH:14]/[C@@H:18]1[C@@H:16]([CH2:9]/[CH:7]=[CH:4]\[CH2:5][CH2:8][CH2:11][C:20](=[O:23])[OH:24])[CH:12]=[CH:15][C:19]1=[O:22])[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 14
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133396
chebi:133396
UQOQENZZLBSFKO-POPPZSFYSA-M 		prostaglandin J2
(5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oate
PGJ2
Prostaglandin J2
prostaglandin J2(1-)

seed.compound:cpd03546
seedM:cpd03546
UQOQENZZLBSFKO-POPPZSFYSA-M 		PGJ2
(5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oate
Prostaglandin J2
prostaglandin J2

lipidmaps:LMFA03010019
lipidmapsM:LMFA03010019
UQOQENZZLBSFKO-POPPZSFYSA-N 		PGJ2
11-oxo-15S-hydroxy-5Z,9,13E-prostatrienoic acid
11-oxo-15S-hydroxy-5Z,9,13E-prostatrienoic acid-cyclo[8S,12R]
8-epi-15-J2t-IsoP
FA 20:5
O2
Prostaglandin J2

bigg.metabolite:C05957
biggM:C05957
UQOQENZZLBSFKO-POPPZSFYSA-N 		Prostaglandin J2
hmdb:HMDB0002710
UQOQENZZLBSFKO-POPPZSFYSA-N 		Prostaglandin J2
(5Z)-7-[(1S,5R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
11-oxo-15S-Hydroxy-5Z,8Z,13E-prostatrienoate
11-oxo-15S-Hydroxy-5Z,8Z,13E-prostatrienoic acid
9-Deoxy-delta-9-PGD2
9-Deoxy-delta-9-prostaglandin D2
PGJ2
prostaglandin J2

sabiork.compound:8299
sabiorkM:8299
kegg.compound:C05957
keggC:C05957
UQOQENZZLBSFKO-POPPZSFYSA-N 		Prostaglandin J2
PGJ2

SLM:000597654
slm:000597654
UQOQENZZLBSFKO-POPPZSFYSA-M 		prostaglandin J2

metacyc.compound:CPD-21229
metacycM:CPD-21229
UQOQENZZLBSFKO-POPPZSFYSA-M 		prostaglandin J2
(5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oate
PGJ2

reactome:R-ALL-2142674
reactomeM:R-ALL-2142674
CHEBI:27485
chebi:27485
UQOQENZZLBSFKO-POPPZSFYSA-N 		prostaglandin J2
(5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oic acid
9-Deoxy-delta-9-pgd2
9-Deoxy-delta-9-prostaglandin D2
PGJ2
Prostaglandin J2

hmdb:HMDB0005078
hmdb:HMDB02710
hmdb:HMDB05078
chebi:26332
chebi:8521
biggM:M_C05957
keggC:M_C05957
seedM:M_cpd03546 		secondary/obsolete/fantasy identifier