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15-oxoprostaglandin E2

PropertiesImage
MNX_IDMNXM1619 Image of MNXM1619
referencechebi:57400
formulaC20H29O5
global charge-1
mol weight349.447
InChIKeyYRTJDWROBKPZNV-KMXMBPPJSA-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/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/p-1/b7-4-,13-12+/t16-,17-,19-/m1/s1
SMILESCCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=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/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,19-/m1/s1 Image of MNXM1619
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: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)5
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57400
chebi:57400
YRTJDWROBKPZNV-KMXMBPPJSA-M 		15-oxoprostaglandin E2
(5Z,13E)-11alpha-hydroxy-9,15-dioxoprosta-5,13-dienoate
15-dehydro-prostaglandin E2 anion
15-dehydro-prostaglandin E2(1-)
hmdb:HMDB0303977
YRTJDWROBKPZNV-KMXMBPPJSA-M 		(5Z)-(15S)-11-alpha-hydroxy-9,15-dioxoprosta-13-enoate
(5Z)-(15S)-11-alpha-hydroxy-9,15-dioxoprosta-13-enoic acid
(5Z)-7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-[(1E)-3-oxooct-1-en-1-yl]cyclopentyl]hept-5-enoate
15-Dehydro-prostaglandin e2 anion
15-Ketoprostaglandin e2
15-Ketoprostaglandin e2, (11alpha)-isomer
15-Oxoprostaglandin e2
15-dehydro-prostaglandin E2
15-keto-PGE2
15-keto-Prostaglandin e2
15-oxo-PGE2
15-oxo-Prostaglandin e2
9,15-dioxo-11-Hydroxyprosta-5,13-dienoic acid

seed.compound:cpd02865
seedM:cpd02865
YRTJDWROBKPZNV-KMXMBPPJSA-M 		(5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate
(5Z)-(15S)-11-alpha-hydroxy-9,15-dioxoprosta-13-enoate
(5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprosta-13-enoate
(5Z,13E)-11-alpha-hydroxy-9,15-dioxoprost-13-enoate
(5Z,13E)-11alpha-hydroxy-9,15-dioxoprosta-5,13-dienoate
15-dehydro-prostaglandin E2

sabiork.compound:7505
sabiorkM:7505
YRTJDWROBKPZNV-KMXMBPPJSA-N 		(5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate
(5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprosta-13-enoate
15-Keto-prostaglandin E2

kegg.compound:C04707
keggC:C04707
YRTJDWROBKPZNV-KMXMBPPJSA-N 		(5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-5,13-dienoate
15-Keto-prostaglandin E2
hmdb:HMDB0003175
YRTJDWROBKPZNV-KMXMBPPJSA-N 		15-Keto-prostaglandin E2
(5Z)-(13E)-11-alpha-Hydroxy-9,15-dioxoprosta-5,13-dienoate
(5Z)-(13E)-11-alpha-Hydroxy-9,15-dioxoprosta-5,13-dienoic acid
(5Z)-(15S)-11a-Hydroxy-9,15-dioxoprosta-13-enoate
(5Z)-(15S)-11a-Hydroxy-9,15-dioxoprosta-13-enoic acid
(5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprosta-13-enoate
(5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprosta-13-enoic acid
(5Z)-(15S)-11alpha-hydroxy-9,15-dioxoprosta-13-enoate
(5Z)-(15S)-11alpha-hydroxy-9,15-dioxoprosta-13-enoic acid
(5Z)-7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-[(1E)-3-oxooct-1-en-1-yl]cyclopentyl]hept-5-enoic acid
(5Z,13E)-11-alpha-Hydroxy-9,15-dioxoprost-5,13-dienoate
(5Z,13E)-11-alpha-Hydroxy-9,15-dioxoprost-5,13-dienoic acid
(5Z,13E)-11a-Hydroxy-9,15-dioxoprost-13-enoate
(5Z,13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid
(5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate
(5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoic acid
(5Z,13E)-11alpha-hydroxy-9,15-dioxoprost-13-enoate
(5Z,13E)-11alpha-hydroxy-9,15-dioxoprost-13-enoic acid
15-Deoxy-15-oxo-prostaglandin e2
15-Keto-PGE2
15-Keto-pge2
15-Keto-pge2-alpha
15-Keto-prostaglandin e2
15-Ketoprostaglandin e2
15-Ketoprostaglandin e2, (11alpha)-isomer
15-oxo-PGE2
15-oxo-PGE2-alpha
9,15-Dioxo-11-hydroxyprosta-5,13-dienoic acid

reactome:R-ALL-2142721
reactomeM:R-ALL-2142721
CHEBI:15547
chebi:15547
YRTJDWROBKPZNV-KMXMBPPJSA-N 		15-dehydro-prostaglandin E2
(5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprosta-13-enoate
(5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate
(5Z,13E)-11alpha-hydroxy-9,15-dioxoprosta-5,13-dienoic acid
15-Keto-PGE2
15-Keto-prostaglandin E2
15-Ketoprostaglandin E2
15-Oxo-PGE2
15-deoxy-15-oxo-prostaglandin E2

metacyc.compound:HYDROXY-915-DIOXOPROSTA-13-ENOATE
metacycM:HYDROXY-915-DIOXOPROSTA-13-ENOATE
YRTJDWROBKPZNV-KMXMBPPJSA-M 		15-dehydro-prostaglandin E2
(5Z,13E)-11alpha-hydroxy-9,15-dioxoprosta-5,13-dienoate
15-keto-prostaglandin E2

lipidmaps:LMFA03010030
lipidmapsM:LMFA03010030
YRTJDWROBKPZNV-KMXMBPPJSA-N 		15-keto-PGE2
15-keto-Prostaglandin E2
9,15-dioxo-11R-hydroxy-5Z,13E-prostadienoic acid
FA 20:5
O3

SLM:000390037
slm:000390037
YRTJDWROBKPZNV-KMXMBPPJSA-M 		15-oxo-prostaglandin E2
15-keto-PGE2
15-keto-prostaglandin E2
15-oxo-PGE2

hmdb:HMDB03175
chebi:10908
chebi:10917
chebi:18588
chebi:243
chebi:247
keggC:M_C04707
seedM:M_cpd02865 		secondary/obsolete/fantasy identifier