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Prostaglandin E3

PropertiesImage
MNX_IDMNXM740256 Image of MNXM740256
referencebiggM:HC02213
formulaC20H29O5
global charge-1
mol weight349.447
InChIKeyCBOMORHDRONZRN-BNPQBDGKSA-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/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/p-1/b6-3-,7-4-,13-12?/t15-,16+,17+,19+/m0/s1
SMILESCC/C=C\C[C@H](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/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12?/t15-,16+,17+,19+/m0/s1 Image of MNXM740256
SMILES (mnx)[CH3:1][C@H:2]([CH:3]=[CH:4][C@@H:5]1[C@@H:6]([CH3:7])[CH2:8][C:9](=[CH2:10])[C@H:11]1[CH2:12]/[CH:13]=[CH:14]\[CH2:15][CH2:16][CH2:17][C:18]([CH3:19])=[CH2:20])[O:21]/[O:22]=[O:23]\[O:24][OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 9
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:HC02213
biggM:HC02213
CBOMORHDRONZRN-BNPQBDGKSA-M 		Prostaglandin E3

biggM:M_HC02213 		secondary/obsolete/fantasy identifier