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15-deoxy-Delta(12,14)-prostaglandin J2

PropertiesImage
MNX_IDMNXM33413 Image of MNXM33413
referencechebi:85236
formulaC20H27O3
global charge-1
mol weight315.433
InChIKeyVHRUMKCAEVRUBK-GODQJPCRSA-M
InChIInChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/p-1/b9-7-,10-6+,18-13+/t17-/m0/s1
SMILESCCCCC/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1 Image of MNXM33413
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:10]/[CH:13]=[C:18]1\[C@@H:17]([CH2:12]/[CH:9]=[CH:7]\[CH2:8][CH2:11][CH2:14][C:20](=[O:22])[OH:23])[CH:15]=[CH:16][C:19]1=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85236
chebi:85236
VHRUMKCAEVRUBK-GODQJPCRSA-M 		15-deoxy-Delta(12,14)-prostaglandin J2
(5Z,12E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oate
11-oxo-5Z,9,12E,14E-prostatetraenoate(1-)
15-deoxy-Delta(12,14)-prostaglandin J2(1-)

vmhM:M00383
vmhmetabolite:M00383
VHRUMKCAEVRUBK-GODQJPCRSA-M 		11-Oxo-5Z,9,12E,14E-Prostatetraenoic Acid
(5Z)-7-[(1S,5E)-5-[(2E)-oct-2-en-1-ylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid

kegg.compound:C14717
keggC:C14717
VHRUMKCAEVRUBK-GODQJPCRSA-N 		15-Deoxy-Delta12,14-PGJ2
15-Deoxy-Delta12,14-prostaglandin J2
15-Deoxy-PGJ2

seed.compound:cpd10415
seedM:cpd10415
VHRUMKCAEVRUBK-GODQJPCRSA-M 		15-Deoxy-PGJ2
(5Z,12E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oate
11-oxo-5Z,9,12E,14E-prostatetraenoate
15-Deoxy-delta-12,14-PGJ2
15-Deoxy-delta-12,14-prostaglandin J2
15-deoxy-delta12,14-prostaglandin J2
hmdb:HMDB0005079
VHRUMKCAEVRUBK-GODQJPCRSA-N 		15-Deoxy-d-12,14-PGJ2
(5Z)-7-[(1S,5E)-5-[(2E)-oct-2-en-1-ylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
(5Z,12E,14E) 11-oxo Prosta-5,9,12,14-tetraen-1-Oate
(5Z,12E,14E) 11-oxo Prosta-5,9,12,14-tetraen-1-Oic acid
(5Z,12E,14E)-11-oxo-Prosta-5,9,12,14-tetraen-1-Oate
(5Z,12E,14E)-11-oxo-Prosta-5,9,12,14-tetraen-1-Oic acid
11-oxo-5Z,9,12,14-Prostatetraenoate
11-oxo-5Z,9,12,14-Prostatetraenoic acid
15-Deoxy-12,14-prostaglandin J2
15-Deoxy-Delta12,14-prostaglandin J2
15-Deoxy-PGJ2
15-Deoxy-delta 12, 14-prostaglandin J2
15-Deoxy-delta(12,14)-prostaglandin J2
15-Deoxy-delta(12,14)PGJ2
15-Deoxy-delta-12, 14 PGJ-2
15-Deoxy-delta-12,14-PGJ2
15-Deoxy-delta-12,14-prostaglandin J2
15-Deoxy-delta12,14-PGJ2
15-Deoxy-delta12,14-prostaglandin
15-Deoxy-delta12,14-prostaglandin J2
15-Deoxy-prostaglandin J2
15-Deoxyprostaglandin J2
15D-PGJ2
Delta12,14-PGJ2
delta-12,14-15-Deoxy-PGJ2
delta-12,14-15-deoxy-PGJ2
delta12,14-PGJ2

SLM:000399850
slm:000399850
VHRUMKCAEVRUBK-GODQJPCRSA-M 		15-deoxy-Delta(12,14)-prostaglandin J2

reactome:R-ALL-2142702
reactomeM:R-ALL-2142702
reactome:R-ALL-9855639
reactomeM:R-ALL-9855639
CHEBI:34159
chebi:34159
VHRUMKCAEVRUBK-GODQJPCRSA-N 		15-deoxy-Delta(12,14)-prostaglandin J2
(5Z,12E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid
15-Deoxy-PGJ2
15-Deoxy-delta-12,14-PGJ2
15-Deoxy-delta-12,14-prostaglandin J2
delta-12,14-15-Deoxy-PGJ2

metacyc.compound:CPD-21230
metacycM:CPD-21230
VHRUMKCAEVRUBK-GODQJPCRSA-M 		15-deoxy-Delta12,14-prostaglandin J2
(5Z,12E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oate
11-oxo-5Z,9,12E,14E-prostatetraenoate
15-deoxy-Delta-12,14-prostaglandin J2
15d-PGJ2
15dPGJ2

lipidmaps:LMFA03010250
lipidmapsM:LMFA03010250
VHRUMKCAEVRUBK-GODQJPCRSA-N 		15-deoxy-delta-12,14-PGJ2-d4
11-oxo-prosta-5Z,9,12E,14E-tetraen-1-oic-3,3,4,4-d4 acid
15-deoxy-PGJ2-d4
15-deoxy-delta-12,14-Prostaglandin J2-d4

lipidmaps:LMFA03010021
lipidmapsM:LMFA03010021
VHRUMKCAEVRUBK-GODQJPCRSA-N 		15-deoxy-delta-12,14-PGJ2
11-oxo-5Z,9,12E,14E-prostatetraenoic acid
15-deoxy-PGJ2
15-deoxy-delta-12,14-Prostaglandin J2
FA 20:6
O

bigg.metabolite:CE4877
biggM:CE4877
VHRUMKCAEVRUBK-GODQJPCRSA-M 		15-deoxy-prostaglandin J2

vmhM:CE4877
vmhmetabolite:CE4877
VHRUMKCAEVRUBK-GODQJPCRSA-M 		15-deoxy-prostaglandin J2
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

hmdb:HMDB05079
biggM:M_CE4877
keggC:M_C14717
seedM:M_cpd10415
vmhM:M_CE4877
vmhM:M_M00383 		secondary/obsolete/fantasy identifier