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prostaglandin H3

PropertiesImage
MNX_IDMNXM739958 Image of MNXM739958
referencechebi:133134
formulaC20H29O5
global charge-1
mol weight349.447
InChIKeyPVTQTOGPOPGQGE-SAMSIYEGSA-M
InChIInChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h3-4,6-7,12-13,15-19,21H,2,5,8-11,14H2,1H3,(H,22,23)/p-1/b6-3-,7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
SMILESCC/C=C\C[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@@H]2C[C@H]1OO2
MNX internals
InChI (mnx)InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h3-4,6-7,12-13,15-19,21H,2,5,8-11,14H2,1H3,(H,22,23)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 Image of MNXM739958
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:6]\[CH2:9][C@@H: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:22])[OH:23])[C@@H:18]2[CH2:14][C@H:19]1[O:25][O:24]2)[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133134
chebi:133134
PVTQTOGPOPGQGE-SAMSIYEGSA-M 		prostaglandin H3
(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S,,5Z)-3-hydroxyocta-1,5-dien-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}hept-5-enoate
(5Z,9S,11R,13E,15S,17Z)-15-hydroxy-9,11-epidioxyprosta-5,13,17-trienoate
prostaglandin H3(1-)
hmdb:HMDB0013040
PVTQTOGPOPGQGE-SAMSIYEGSA-N 		Prostaglandin H3
(5Z)-7-[(1R,4S,5R,6R)-6-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
(5Z,9S,11R,13E,15S,17Z)-15-Hydroxy-9,11-epidioxyprosta-5,13,17-trienoate
(5Z,9S,11R,13E,15S,17Z)-15-Hydroxy-9,11-epidioxyprosta-5,13,17-trienoic acid
(5Z,9a,11a,13E,15S,17Z)-9,11-Epidioxy-15-hydroxyprosta-5,13,17-trien-1-Oate
(5Z,9a,11a,13E,15S,17Z)-9,11-Epidioxy-15-hydroxyprosta-5,13,17-trien-1-Oic acid
(5Z,9alpha,11alpha,13E,15S,17Z)-9,11-Epidioxy-15-hydroxyprosta-5,13,17-trien-1-Oate
(5Z,9alpha,11alpha,13E,15S,17Z)-9,11-Epidioxy-15-hydroxyprosta-5,13,17-trien-1-Oic acid
(5Z,9alpha,11alpha,13E,15S,17Z)-9,11-epidioxy-15-hydroxyprosta-5,13,17-trien-1-Oate
(5Z,9alpha,11alpha,13E,15S,17Z)-9,11-epidioxy-15-hydroxyprosta-5,13,17-trien-1-Oic acid
PGH3

SLM:000597633
slm:000597633
PVTQTOGPOPGQGE-SAMSIYEGSA-M 		prostaglandin H3

metacyc.compound:CPD-26009
metacycM:CPD-26009
reactome:R-ALL-9028280
reactomeM:R-ALL-9028280
CHEBI:134407
chebi:134407
PVTQTOGPOPGQGE-SAMSIYEGSA-M
PVTQTOGPOPGQGE-SAMSIYEGSA-N 		prostaglandin H3
(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S,,5Z)-3-hydroxyocta-1,5-dien-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}hept-5-enoic acid
(5Z,9S,11R,13E,15S,17Z)-15-hydroxy-9,11-epidioxyprosta-5,13,17-trienoic acid
(5Z,9alpha,11alpha,13E,15S,17Z)-9,11-Epidioxy-15-hydroxyprosta-5,13,17-trien-1-oic acid
PGH3

hmdb:HMDB13040 		secondary/obsolete/fantasy identifier