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4-hydroxy-D4-neuroprostane

Properties

Image

Occurences in reactions

MNX_ID

MNXM735066

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

formula

C₂₂H₃₂O₅

charge

mass

376.22497

reference

chebi:174983

InChIKey

IDXBOXWUWDDSSX-GSPMAKDWSA-N

InChI

InChI=1S/C22H32O5/c1-2-3-4-5-6-7-8-9-10-11-18-19(21(25)16-20(18)24)14-12-17(23)13-15-22(26)27/h3-4,6-7,9-10,12,14,17-19,21,23,25H,2,5,8,11,13,15-16H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,14-12+

SMILES

CC/C=C\C/C=C\C/C=C\CC1C(=O)CC(O)C1/C=C/C(O)CCC(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:174983 chebi:174983	4-hydroxy-D4-neuroprostane (E)-4-hydroxy-6-[5-hydroxy-3-oxo-2-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]cyclopentyl]hex-5-enoic acid
bigg.metabolite:CE6453 biggM:CE6453	4-hydroxy-D4-neuroprostane
biggM:M_CE6453	secondary/obsolete/fantasy identifier