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Delta(12)-prostaglandin J2

Properties

Image

Occurences in reactions

MNX_ID

MNXM739321

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	8

formula

C₂₀H₂₉O₄

charge

-1

mass

333.20713

reference

chebi:133424

InChIKey

TUXFWOHFPFBNEJ-GJGHEGAFSA-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/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/p-1/b7-4-,18-14+/t16-,17-/m0/s1

SMILES

CCCCC[C@H](O)C/C=C1/C(=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:133424 chebi:133424	Delta(12)-prostaglandin J2 (5Z,12E,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oate 13,14-dihydro-Delta(12)-PGJ2(1-) 13,14-dihydro-Delta(12)-prostaglandin J2(1-)
reactome:R-ALL-2142821 reactomeM:R-ALL-2142821 CHEBI:28130 chebi:28130	13,14-dihydro-Delta(12)-prostaglandin J2 (5Z,12E,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid 9-Deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin D2 9-Deoxy-delta(9), delta(12)-13,14-dihydroprostaglandin D2 9-Deoxy-delta(9,12)-13,14-dihydro PGD2 Dddd-PGD2 d12-PGJ2 delta(12)-PGJ2 delta-12-PGJ2 delta-12-Prostaglandin J2
hmdb:HMDB0004238	Delta-12-Prostaglandin J2 (5Z)-7-[(1S,5E)-5-[(3S)-3-hydroxyoctylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid 9-Deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin D2 9-Deoxy-delta(9), delta(12)-13,14-dihydroprostaglandin D2 9-Deoxy-delta(9,12)-13,14-dihydro PGD2 D12-PGJ2 DDDD-PGD2 Prostaglandin J2 delta(12)-PGJ2 delta-12-PGJ2 delta-12-prostaglandin J2
kegg.compound:C05958 keggC:C05958	Delta-12-Prostaglandin J2 Delta-12-PGJ2
bigg.metabolite:CE4876 biggM:CE4876	Delta12-Prostaglandin J2
sabiork.compound:8300 sabiorkM:8300	delta-12-13,14-Dihydro-prostaglandin J2 delta-12-13,14-Dihydro-PGJ2 delta-12-PGJ2
lipidmaps:LMFA03010020 lipidmapsM:LMFA03010020	delta-12-PGJ2 11-oxo-15S-hydroxy-5Z,9Z,13E-prostatrienoic acid FA 20:5 O2 delta-12-Prostaglandin J2
seed.compound:cpd03547 seedM:cpd03547	delta-12-PGJ2 delta-12-Prostaglandin J2
hmdb:HMDB04238 chebi:10537 chebi:23604 biggM:M_CE4876 keggC:M_C05958 seedM:M_cpd03547	secondary/obsolete/fantasy identifier