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prostaglandin J2

Properties

Image

Occurences in reactions

MNX_ID

MNXM7704

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	22

formula

C₂₀H₂₉O₄

charge

-1

mass

333.20713

reference

chebi:133396

InChIKey

UQOQENZZLBSFKO-POPPZSFYSA-M

InChI

InChI=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

SMILES

CCCCC[C@H](O)/C=C/[C@H]1C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:133396 chebi:133396	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	PGJ2 (5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oate Prostaglandin J2 prostaglandin J2
lipidmaps:LMFA03010019 lipidmapsM:LMFA03010019	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	Prostaglandin J2
hmdb:HMDB0002710	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	Prostaglandin J2 PGJ2
metacyc.compound:CPD-21229 metacycM:CPD-21229	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	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