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9-Deoxy-delta12-PGD2

Properties

Image

Occurences in reactions

MNX_ID

MNXM151627

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	4

formula

C₂₀H₃₂O₄

charge

mass

336.23006

reference

chebi:175297

InChIKey

JTEYGOLPGOYFJI-GJGHEGAFSA-N

InChI

InChI=1S/C20H32O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,14,16-17,21H,2-3,5-6,8-13,15H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1

SMILES

CCCCC[C@H](O)C/C=C1/C(=O)CC[C@@H]1C/C=C\CCCC(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175297 chebi:175297	9-Deoxy-delta12-PGD2 (Z)-7-[(1R,2E)-2-[(3S)-3-hydroxyoctylidene]-3-oxocyclopentyl]hept-5-enoic acid
hmdb:HMDB0060103	9-Deoxy-delta12-PGD2 (5Z)-7-[(1R,2E)-2-[(3S)-3-hydroxyoctylidene]-3-oxocyclopentyl]hept-5-enoic acid
bigg.metabolite:CE6240 biggM:CE6240	9-deoxy-delta12-PGD2
hmdb:HMDB60103 biggM:M_CE6240	secondary/obsolete/fantasy identifier