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15-oxoprostaglandin E1

MNXM3139 is deprecated and here replaced by MNXM1104200
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104200 Image of MNXM1104200
referencechebi:57401
formulaC20H31O5
global charge-1
mol weight351.463
InChIKeyVXPBDCBTMSKCKZ-XQHNHVHJSA-M
InChIInChI=1S/C20H32O5/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/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/p-1/b13-12+/t16-,17-,19-/m1/s1
SMILESCCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H32O5/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/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t16-,17-,19-/m1/s1 Image of MNXM1104200
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][CH2:7][CH2:4][CH2:5][CH2:8][CH2:11][C:20](=[O:24])[OH:25])[C:18](=[O:22])[CH2:14][C@H:19]1[OH:23])=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57401
chebi:57401
VXPBDCBTMSKCKZ-XQHNHVHJSA-M 		15-oxoprostaglandin E1
(13E)-11alpha-hydroxy-9,15-dioxoprost-13-en-1-oate
15-dehydro-prostaglandin E1 anion
15-dehydro-prostaglandin E1(1-)
hmdb:HMDB0001320
VXPBDCBTMSKCKZ-XQHNHVHJSA-N 		(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid
(11a,13E)-11-Hydroxy-9,15-dioxoprost-13-en-1-Oate
(11a,13E)-11-Hydroxy-9,15-dioxoprost-13-en-1-Oic acid
(11alpha,13E)-11-Hydroxy-9,15-dioxoprost-13-en-1-Oate
(11alpha,13E)-11-Hydroxy-9,15-dioxoprost-13-en-1-Oic acid
(13E)-11-alpha-Hydroxy-9,15-dioxoprost-13-enoate
(13E)-11-alpha-Hydroxy-9,15-dioxoprost-13-enoic acid
(13E)-11a-Hydroxy-9,15-dioxoprost-13-en-1-Oate
(13E)-11a-Hydroxy-9,15-dioxoprost-13-en-1-Oic acid
(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoate
(13E)-11alpha-Hydroxy-9,15-dioxoprost-13-en-1-Oate
(13E)-11alpha-Hydroxy-9,15-dioxoprost-13-en-1-Oic acid
(13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate
(13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoic acid
(13E)-11alpha-hydroxy-9,15-dioxoprost-13-en-1-Oate
(13E)-11alpha-hydroxy-9,15-dioxoprost-13-en-1-Oic acid
(13E)-11alpha-hydroxy-9,15-dioxoprost-13-enoate
(13E)-11alpha-hydroxy-9,15-dioxoprost-13-enoic acid
1-Hydroxy-9,15-dioxo-(11a,13E)-prost-13-en-1-Oate
1-Hydroxy-9,15-dioxo-(11a,13E)-prost-13-en-1-Oic acid
15-Keto pge1
15-Keto-pge
15-Keto-pge1
15-Keto-pge1-alpha
15-Keto-prostaglandin e1
15-Ketoprostaglandin e
15-Ketoprostaglandin e, (11alpha,13E)-(+-)-isomer
15-Ketoprostaglandin e, (5Z,11alpha)-isomer, 2H-labeled
15-Ketoprostaglandin e1
15-Oxoprostaglandin e1
15-keto-PGE1
15-oxo-PGE1
3-Hydroxy-5-oxo-2-(3-oxo-1-octenyl)-cyclopentaneheptanoate
3-Hydroxy-5-oxo-2-(3-oxo-1-octenyl)-cyclopentaneheptanoic acid
7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-[(1E)-3-oxooct-1-en-1-yl]cyclopentyl]heptanoic acid
9,15-Dioxo-11R-hydroxy-13E-prostaenoate
9,15-Dioxo-11R-hydroxy-13E-prostaenoic acid

bigg.metabolite:prostg1
biggM:prostg1
VXPBDCBTMSKCKZ-XQHNHVHJSA-M 		(13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate

seed.compound:cpd02836
seedM:cpd02836
VXPBDCBTMSKCKZ-XQHNHVHJSA-M 		(13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate
(13E)-11-alpha-hydroxy-9,15-dioxoprost-13-enoate

kegg.compound:C04654
keggC:C04654
VXPBDCBTMSKCKZ-XQHNHVHJSA-N 		(13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate
15-Keto-prostaglandin E1

sabiork.compound:25974
sabiorkM:25974
VXPBDCBTMSKCKZ-XQHNHVHJSA-N 		15-Keto-prostaglandin E1

vmhM:prostg1
vmhmetabolite:prostg1
VXPBDCBTMSKCKZ-XQHNHVHJSA-M 		15-dehydro-prostaglandin E1(1-)
7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-[(1E)-3-oxooct-1-en-1-yl]cyclopentyl]heptanoic acid

metacyc.compound:13E-11-ALPHA-HYDROXY-915-DIOXOPROST-1
metacycM:13E-11-ALPHA-HYDROXY-915-DIOXOPROST-1
VXPBDCBTMSKCKZ-XQHNHVHJSA-M 		15-dehydro-prostaglandin E1
(13E)-11-alpha-hydroxy-9,15-dioxoprost-13-enoate

CHEBI:15548
chebi:15548
VXPBDCBTMSKCKZ-XQHNHVHJSA-N 		15-dehydro-prostaglandin E1
(13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate
(13E)-11alpha-hydroxy-9,15-dioxoprost-13-en-1-oic acid

lipidmaps:LMFA03010146
lipidmapsM:LMFA03010146
VXPBDCBTMSKCKZ-XQHNHVHJSA-N 		15-keto-PGE1
15-keto-Prostaglandin E1
9,15-dioxo-11R-hydroxy-13E-prostaenoic acid
FA 20:4
O3

SLM:000390039
slm:000390039
VXPBDCBTMSKCKZ-XQHNHVHJSA-M 		15-oxo-prostaglandin E1
15-keto-PGE1
15-keto-prostaglandin E1
15-oxo-PGE1

hmdb:HMDB0011598
hmdb:HMDB01320
hmdb:HMDB11598
chebi:10823
chebi:145
biggM:M_prostg1
keggC:M_C04654
seedM:M_cpd02836
vmhM:M_prostg1 		secondary/obsolete/fantasy identifier