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15-oxoprostaglandin D2

MNXM4253 is deprecated and here replaced by MNXM1369451
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1369451 Image of MNXM1369451
referencechebi:57408
formulaC20H29O5
global charge-1
mol weight349.447
InChIKeyXEQAHADLFLAPQL-RBIQQSKKSA-M
InChIInChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-18,22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/p-1/b7-4-,13-12+/t16-,17-,18+/m1/s1
SMILESCCCCCC(=O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-18,22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,18+/m1/s1 Image of MNXM1369451
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C:15](/[CH:12]=[CH:13]/[C@@H:17]1[C@@H:16]([CH2:10]/[CH:7]=[CH:4]\[CH2:5][CH2:8][CH2:11][C:20](=[O:24])[OH:25])[C@@H:18]([OH:22])[CH2:14][C:19]1=[O:23])=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57408
chebi:57408
XEQAHADLFLAPQL-RBIQQSKKSA-M 		15-oxoprostaglandin D2
(5Z,13E)-9alpha-hydroxy-11,15-dioxoprosta-5,13-dienoate
15-dehydro-prostaglandin D2(1-)

seed.compound:cpd02897
seedM:cpd02897
XEQAHADLFLAPQL-RBIQQSKKSA-M 		(5Z,13E)-9alpha-Hydroxy-11,15-dioxoprosta-5,13-dienoate
(5Z,13E)-9-alpha-hydroxy-11,15-dioxoprosta-5,13-dienoate
15-Dehydro-prostaglandin D2

kegg.compound:C04758
keggC:C04758
XEQAHADLFLAPQL-RBIQQSKKSA-N 		(5Z,13E)-9alpha-Hydroxy-11,15-dioxoprosta-5,13-dienoate
15-Dehydro-prostaglandin D2
15-Keto-prostaglandin D2

reactome:R-ALL-2142752
reactomeM:R-ALL-2142752
CHEBI:15557
chebi:15557
XEQAHADLFLAPQL-RBIQQSKKSA-N 		15-dehydro-prostaglandin D2
(5Z,13E)-9alpha-Hydroxy-11,15-dioxoprosta-5,13-dienoate
(5Z,13E)-9alpha-hydroxy-11,15-dioxoprosta-5,13-dienoic acid
15-Dehydro-prostaglandin D2
15-deoxy-15-oxo-prostaglandin D2

metacyc.compound:5Z13E-9-ALPHA-HYDROXY-1115-DIOXOPROS
metacycM:5Z13E-9-ALPHA-HYDROXY-1115-DIOXOPROS
XEQAHADLFLAPQL-RBIQQSKKSA-M 		15-dehydro-prostaglandin D2
(5Z,13E)-9alpha-hydroxy-11,15-dioxoprosta-5,13-dienoate
15-oxoprostaglandin D2

lipidmaps:LMFA03010206
lipidmapsM:LMFA03010206
XEQAHADLFLAPQL-RBIQQSKKSA-N 		15-keto-PGD2
(5Z,13E)-9alpha-Hydroxy-11,15-dioxoprosta-5,13-dienoate
15-dehydro-prostaglandin D2
15-deoxy-15-oxo-prostaglandin D2
9S-hydroxy-11,15-dioxo-5Z,13E-prostadienoic acid
FA 20:5
O3

chebi:10919
chebi:18592
chebi:249
keggC:M_C04758
seedM:M_cpd02897 		secondary/obsolete/fantasy identifier