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15-deoxy-PGD2

MNXM33412 is deprecated and here replaced by MNXM734305
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM734305

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	3

formula

C₂₀H₃₀O₄

charge

mass

334.21441

reference

biggM:CE5304

InChIKey

QUGBPWLPAUHDTI-PLGLXCLHSA-N

InChI

InChI=1S/C20H30O4/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24/h6-7,9-10,12,17,19,22H,2-5,8,11,13-15H2,1H3,(H,23,24)/b9-6+,10-7-,16-12+/t17-,19+/m1/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:CE5304 biggM:CE5304	15-deoxy-PGD2
hmdb:HMDB0062298	15-deoxy-PGD2 (5Z)-7-[(1R,2E,5S)-5-hydroxy-2-[(2E)-oct-2-en-1-ylidene]-3-oxocyclopentyl]hept-5-enoic acid 15-Deoxy-delta-12,14-PGD2 15-deoxy-delta-12,14-PGD2
lipidmaps:LMFA03010051 lipidmapsM:LMFA03010051	15-deoxy-delta-12,14-PGD2 15-deoxy-PGD2 15-deoxy-delta-12,14-Prostaglandin D2 9S-hydroxy-11-oxo-5Z,12E,14E-prostatrienoic acid FA 20:5 O2
hmdb:HMDB62298 biggM:M_CE5304	secondary/obsolete/fantasy identifier