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(10,17S)-dihydroperoxy-(4Z,7Z,11Z,13Z,15E,19Z)-docosahexaenoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM163011

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

formula

C₂₂H₃₁O₆

charge

-1

mass

391.21261

reference

chebi:133948

InChIKey

ALQAYVWWNWCFEN-KKEDPRABSA-M

InChI

InChI=1S/C22H32O6/c1-2-3-10-15-20(27-25)17-12-8-9-13-18-21(28-26)16-11-6-4-5-7-14-19-22(23)24/h3,5-13,17-18,20-21,25-26H,2,4,14-16,19H2,1H3,(H,23,24)/p-1/b7-5-,9-8-,10-3-,11-6-,17-12+,18-13-/t20-,21?/m0/s1

SMILES

CC/C=C\C[C@@H](/C=C/C=C\C=C/C(C/C=C\C/C=C\CCC(=O)[O-])OO)OO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:133948 chebi:133948	(10,17S)-dihydroperoxy-(4Z,7Z,11Z,13Z,15E,19Z)-docosahexaenoate (10,17S)-DiHPDoHE(1-) (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosa-4,7,11,13,15,19-hexaenoate (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate
CHEBI:136587 chebi:136587	(4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid (10,17S)-DiHPDoHE (10,17S)-dihydroperoxy-(4Z,7Z,11Z,13Z,15E,19Z)-docosahexaenoic acid (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosa-4,7,11,13,15,19-hexaenoic acid