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Prostaglandin PGE2 glyceryl ester

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104807

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₂₃H₃₈O₇

charge

mass

426.26175

reference

chebi:176067

InChIKey

HJWDPZIOTMUWRW-KSGZNQJUSA-N

InChI

InChI=1S/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-18(15-24)16-25/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19-,20-,22-/m0/s1

SMILES

CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)OC(CO)CO

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:176067 chebi:176067	Prostaglandin PGE2 glyceryl ester 1,3-dihydroxypropan-2-yl (Z)-7-[(1S,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
bigg.metabolite:CE4980 biggM:CE4980	Prostaglandin PGE2 glyceryl ester
hmdb:HMDB0013045	Prostaglandin PGE2 glyceryl ester 1,3-Dihydroxypropan-2-yl (5Z)-7-[(1S,2S,3S)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoic acid 1,3-dihydroxypropan-2-yl (5Z)-7-[(1S,2S,3S)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoate
hmdb:HMDB13045 biggM:M_CE4980	secondary/obsolete/fantasy identifier