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Prostaglandin-f2beta

PropertiesImage
MNX_IDMNXM740258 Image of MNXM740258
referencebiggM:HC02216
formulaC20H33O5
global charge-1
mol weight353.479
InChIKeyPXGPLTODNUVGFL-IPZRGGTJSA-M
InChIInChI=1S/C20H34O5/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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/p-1/b7-4?,13-12+/t15-,16+,17+,18+,19+/m0/s1
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CC=CCCCC(=O)[O-])[C@H](O)C[C@H]1O
MNX internals
InChI (mnx)InChI=1/C20H34O5/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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4?,13-12+/t15-,16+,17+,18+,19+/m0/s1 Image of MNXM740258
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:6][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:24])[OH:25])[C@H:18]([OH:22])[CH2:14][C@H:19]1[OH:23])[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:HC02216
biggM:HC02216
PXGPLTODNUVGFL-IPZRGGTJSA-M 		Prostaglandin-f2beta

vmhM:HC02216
vmhmetabolite:HC02216
PXGPLTODNUVGFL-IPZRGGTJSA-M 		prostaglandin-f2beta
(5Z)-7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]hept-5-enoic acid

biggM:M_HC02216
vmhM:M_HC02216 		secondary/obsolete/fantasy identifier