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2-glyceryl-prostaglandin H2

PropertiesImage
MNX_IDMNXM35080 Image of MNXM35080
referencechebi:85166
formulaC23H38O7
global charge0
mol weight426.55
InChIKeyXWDRGTGPJCBPGC-PKBBWAGBSA-N
InChIInChI=1S/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21-14-22(20)30-29-21)10-7-4-5-8-11-23(27)28-18(15-24)16-25/h4,7,12-13,17-22,24-26H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19+,20+,21-,22+/m0/s1
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(CO)CO)[C@@H]2C[C@H]1OO2
MNX internals
InChI (mnx)InChI=1/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21-14-22(20)30-29-21)10-7-4-5-8-11-23(27)28-18(15-24)16-25/h4,7,12-13,17-22,24-26H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19+,20+,21-,22+/m0/s1 Image of MNXM35080
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C@@H:17](/[CH:12]=[CH:13]/[C@@H:20]1[C@@H:19]([CH2:10]/[CH:7]=[CH:4]\[CH2:5][CH2:8][CH2:11][C:23](=[O:27])[O:28][CH:18]([CH2:15][OH:24])[CH2:16][OH:25])[C@@H:21]2[CH2:14][C@H:22]1[O:30][O:29]2)[OH:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85166
chebi:85166
XWDRGTGPJCBPGC-PKBBWAGBSA-N 		2-glyceryl-prostaglandin H2
1,3-dihydroxypropan-2-yl (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}hept-5-enoate
1,3-dihydroxypropan-2-yl (5Z,9S,11R,13E,15S)-15-hydroxy-9,11-epidioxyprosta-5,13-dien-1-oate
prostaglandin H2 2-glyceryl ester

lipidmaps:LMFA03010189
lipidmapsM:LMFA03010189
XWDRGTGPJCBPGC-PKBBWAGBSA-N 		2-glyceryl-PGH2
2-glyceryl-Prostaglandin H2
9S,11R-epidioxy-15S-hydroxy-5Z,13E-prostadienoic acid 2-glyceryl ester
FA 23:4
O5

SLM:000390175
slm:000390175
XWDRGTGPJCBPGC-PKBBWAGBSA-N 		2-glyceryl-prostaglandin H2
2-glyceryl-PGH2
hmdb:HMDB0062663
XWDRGTGPJCBPGC-PKBBWAGBSA-N 		Prostaglandin H2 2-glyceryl Ester
1,3-Dihydroxypropan-2-yl (5Z,9S,11R,13E,15S)-15-hydroxy-9,11-epidioxyprosta-5,13-dien-1-Oate
1,3-Dihydroxypropan-2-yl (5Z,9S,11R,13E,15S)-15-hydroxy-9,11-epidioxyprosta-5,13-dien-1-Oic acid
1,3-dihydroxypropan-2-yl (5Z)-7-[(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoate
2-Glyceryl-prostaglandin H2
2-glyceryl-PGH2

hmdb:HMDB62663 		secondary/obsolete/fantasy identifier