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15-deoxy-Delta(12,14)-prostaglandin D2

PropertiesImage
MNX_IDMNXM734306 Image of MNXM734306
referencechebi:63999
formulaC20H30O3
global charge0
mol weight318.457
InChIKeyWPAYHTRLEHKDHP-UBEAGDKLSA-N
InChIInChI=1S/C20H30O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6-7,9-10,12,15-16,18-19,21H,2-5,8,11,13-14H2,1H3,(H,22,23)/b9-6+,10-7-,17-12-/t18-,19+/m1/s1
SMILESCCCCC/C=C/C=C1/C=C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C20H30O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6-7,9-10,12,15-16,18-19,21H,2-5,8,11,13-14H2,1H3,(H,22,23)/b9-6+,10-7-,17-12-/t18-,19+/m1/s1 Image of MNXM734306
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:9]/[CH:12]=[C:17]1/[CH:15]=[CH:16][C@H:19]([OH:21])[C@@H:18]1[CH2:13]/[CH:10]=[CH:7]\[CH2:8][CH2:11][CH2:14][C:20](=[O:22])[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-2142817
reactomeM:R-ALL-2142817
CHEBI:63999
chebi:63999
WPAYHTRLEHKDHP-UBEAGDKLSA-N 		15-deoxy-Delta(12,14)-prostaglandin D2
(5Z,9alpha,12Z,14E)-9-hydroxyprosta-5,10,12,14-tetraen-1-oic acid
15-deoxy-delta-12,14-PGD2
15-deoxy-delta-12,14-prostaglandin D2
15d-PGD2
9S-hydroxy-11-oxo-5Z,12E,14E-prostatrienoic acid

vmhM:CE5304
vmhmetabolite:CE5304
WPAYHTRLEHKDHP-UBEAGDKLSA-N 		15-deoxy-PGD2
(5Z)-7-[(1R,2E,5S)-5-hydroxy-2-[(2E)-oct-2-en-1-ylidene]-3-oxocyclopentyl]hept-5-enoic acid

vmhM:M00382
vmhmetabolite:M00382
WPAYHTRLEHKDHP-UBEAGDKLSA-N 		9S-Hydroxy-11-Oxo-5Z,12E,14E-Prostatrienoic Acid

vmhM:M_CE5304
vmhM:M_M00382 		secondary/obsolete/fantasy identifier