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(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1373488

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

formula

C₁₈H₃₀O₄

charge

mass

310.434

reference

chebi:63238

InChIKey

RWKJTIHNYSIIHW-CUHSZNQNSA-N

InChI

InChI=1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b4-3-,8-6-,14-11+

SMILES

[CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:6]=[CH:8]\[CH:11]=[CH:14]\[CH:17]([CH2:15][CH2:12][CH2:9][CH2:7][CH2:10][CH2:13][CH2:16][C:18](=[O:19])[OH:20])[O:22][OH:21]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63238 chebi:63238	(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
CHEBI:63239 chebi:63239	(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (10E,12Z,15Z)-9-hydroperoxy-10,12,15-octadecatrienoate (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid anion
metacyc.compound:CPD-13767 metacycM:CPD-13767	9(R)-HpOTre (9R,10E,12Z,15Z)-9-hydroperoxy-10,12,15-octadecatrienoate (9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate 9(R)-HPOTE
metacyc.compound:CPD-8678 metacycM:CPD-8678	9(S)-HpOTre 9(S)-HPOTE 9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoate 9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoic acid