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15-oxo-prostaglandin A1

PropertiesImage
MNX_IDMNXM146869 Image of MNXM146869
referencechebi:85072
formulaC20H29O4
global charge-1
mol weight333.448
InChIKeyYKXHFAJZOFTAOC-DTXSUPOZSA-M
InChIInChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-16,18H,2-11H2,1H3,(H,23,24)/p-1/b14-12+/t16-,18+/m0/s1
SMILESCCCCCC(=O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-16,18H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,18+/m0/s1 Image of MNXM146869
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C:17](/[CH:14]=[CH:12]/[C@H:16]1[CH:13]=[CH:15][C:19](=[O:22])[C@@H:18]1[CH2:10][CH2:7][CH2:4][CH2:5][CH2:8][CH2:11][C:20](=[O:23])[OH:24])=[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:85072
chebi:85072
YKXHFAJZOFTAOC-DTXSUPOZSA-M 		15-oxo-prostaglandin A1
(13E)-9,15-dioxoprosta-10,13-dien-1-oate
15-dehydroprostaglandin A1(1-)

metacyc.compound:CPD-24260
metacycM:CPD-24260
YKXHFAJZOFTAOC-DTXSUPOZSA-M 		15-dehydro-prostaglandin A1
(13E)-9,15-dioxoprosta-10,13-dien-1-oate
15-ketoprostaglandin A1
15-oxoprostaglandin A1

CHEBI:85552
chebi:85552
YKXHFAJZOFTAOC-DTXSUPOZSA-N 		15-dehydroprostaglandin A1
(13E)-9,15-dioxoprosta-10,13-dien-1-oic acid

SLM:000390068
slm:000390068
YKXHFAJZOFTAOC-DTXSUPOZSA-M 		15-oxo-prostaglandin A1
15-keto-PGA1
15-keto-prostaglandin A1
15-oxo-PGA1