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Delta(12)-prostaglandin J2

PropertiesImage
MNX_IDMNXM1371999 Image of MNXM1371999
referencechebi:133424
formulaC20H29O4
global charge-1
mol weight333.448
InChIKeyTUXFWOHFPFBNEJ-GJGHEGAFSA-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/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/p-1/b7-4-,18-14+/t16-,17-/m0/s1
SMILESCCCCC[C@H](O)C/C=C1/C(=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/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1 Image of MNXM1371999
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:6][CH2:10][C@@H:17]([CH2:13]/[CH:14]=[C: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)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133424
chebi:133424
TUXFWOHFPFBNEJ-GJGHEGAFSA-M 		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
TUXFWOHFPFBNEJ-GJGHEGAFSA-N 		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
TUXFWOHFPFBNEJ-GJGHEGAFSA-N 		Delta-12-Prostaglandin J2
(5Z)-7-[(1S,5E)-5-[(3S)-3-hydroxyoctylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
(5Z,12E,15S)-15-Hydroxy-11-oxo-prosta-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
D12-PGJ2
DDDD-PGD2
Prostaglandin J2
delta(12)-PGJ2
delta-12-PGJ2
delta-12-prostaglandin J2

kegg.compound:C05958
keggC:C05958
TUXFWOHFPFBNEJ-GJGHEGAFSA-N 		Delta-12-Prostaglandin J2
Delta-12-PGJ2

metacyc.compound:CPD-25996
metacycM:CPD-25996
TUXFWOHFPFBNEJ-GJGHEGAFSA-M 		Delta12,14-prostaglandin J2
Delta-12,14-prostaglandin J2
Delta12-PGJ2

sabiork.compound:8300
sabiorkM:8300
TUXFWOHFPFBNEJ-GJGHEGAFSA-N 		delta-12-13,14-Dihydro-prostaglandin J2
delta-12-13,14-Dihydro-PGJ2
delta-12-PGJ2

lipidmaps:LMFA03010020
lipidmapsM:LMFA03010020
TUXFWOHFPFBNEJ-GJGHEGAFSA-N 		delta-12-PGJ2
11-oxo-15S-hydroxy-5Z,9Z,12E-prostatrienoic acid
FA 20:5
O2
delta-12-Prostaglandin J2

seed.compound:cpd03547
seedM:cpd03547
TUXFWOHFPFBNEJ-GJGHEGAFSA-M 		delta-12-PGJ2
delta-12-Prostaglandin J2

hmdb:HMDB04238
chebi:10537
chebi:23604
keggC:M_C05958
seedM:M_cpd03547 		secondary/obsolete/fantasy identifier