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6-oxoprostaglandin E1

PropertiesImage
MNX_IDMNXM10389 Image of MNXM10389
referencechebi:28269
formulaC20H32O6
global charge0
mol weight368.47
InChIKeyROUDCKODIMKLNO-CTBSXBMHSA-N
InChIInChI=1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-18,21,23H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+/m0/s1
SMILESCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-18,21,23H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+/m0/s1 Image of MNXM10389
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:7][C@@H:14](/[CH:10]=[CH:11]/[C@@H:16]1[C@@H:17]([CH2:12][C:15]([CH2:8][CH2:5][CH2:6][CH2:9][C:20](=[O:25])[OH:26])=[O:22])[C:19](=[O:24])[CH2:13][C@H:18]1[OH:23])[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28269
chebi:28269
ROUDCKODIMKLNO-CTBSXBMHSA-N 		6-oxoprostaglandin E1
(13E,15S)-11alpha,15-dihydroxy-6,9-dioxoprost-13-en-1-oic acid
6-Keto-PGE1
6-Keto-prostaglandin E1
6-Ketoprostaglandin E1
6-Oxo-PGE1
6-Oxoprostaglandin E1

seed.compound:cpd03551
seedM:cpd03551
ROUDCKODIMKLNO-CTBSXBMHSA-M 		6-Keto-PGE1
6-Keto-prostaglandin E1

kegg.compound:C05962
keggC:C05962
ROUDCKODIMKLNO-CTBSXBMHSA-N 		6-Keto-prostaglandin E1
6-Keto-PGE1
hmdb:HMDB0004241
ROUDCKODIMKLNO-CTBSXBMHSA-N 		6-Ketoprostaglandin E1
6,9-dioxo-11R,15S-Dihydroxy-13E-prostenoate
6,9-dioxo-11R,15S-Dihydroxy-13E-prostenoic acid
6-KPGE1
6-Keto-PGE1
6-Keto-pge1
6-Keto-prostaglandin e1
6-Oxoprostaglandin e1
6-keto PGE1
6-oxo-PGE1
6-oxo-Prostaglandin e1
7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]-6-oxoheptanoic acid

vmhM:M01167
vmhmetabolite:M01167
ROUDCKODIMKLNO-CTBSXBMHSA-M 		6-Ketoprostaglandin E1
7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]-6-oxoheptanoic acid

lipidmaps:LMFA03010012
lipidmapsM:LMFA03010012
ROUDCKODIMKLNO-CTBSXBMHSA-N 		6-keto PGE1
6,9-dioxo-11R,15S-dihydroxy-13E-prostenoic acid
6-keto Prostaglandin E1
FA 20:4
O4

metacyc.compound:CPD-24690
metacycM:CPD-24690
ROUDCKODIMKLNO-CTBSXBMHSA-N 		6-oxo-prostaglandin E1
(13E,15S)-11a,15-dihydroxy-6,9-dioxoprost-13-en-1-oate
6-keto-PGE1
6-keto-prostaglandin E1
6-oxo-PGE1

CHEBI:134577
chebi:134577
ROUDCKODIMKLNO-CTBSXBMHSA-M 		6-oxo-prostaglandin E1
(13E,15S)-11alpha,15-dihydroxy-6,9-dioxoprost-13-en-1-oate
6-keto-prostaglandin E1(1-)
6-oxoprostaglandin E1(1-)

hmdb:HMDB04241
chebi:20735
chebi:2204
keggC:M_C05962
seedM:M_cpd03551
vmhM:M_M01167 		secondary/obsolete/fantasy identifier