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Hydroperoxylinoleic acid

PropertiesImage
MNX_IDMNXM167950 Image of MNXM167950
referencesabiorkM:24678
formulaC18H32O4
global charge0
mol weight312.45
InChIKeyZBNXJJKFWACAPS-HZJYTTRNSA-N
InChIInChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(22-21)18(19)20/h6-7,9-10,17,21H,2-5,8,11-16H2,1H3,(H,19,20)/b7-6-,10-9-
SMILESCCCCC/C=C\C/C=C\CCCCCCC(OO)C(=O)O
MNX internals
InChI (mnx)InChI=1/C18H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(22-21)18(19)20/h6-7,9-10,17,21H,2-5,8,11-16H2,1H3,(H,19,20)/b7-6-,10-9-/t17? Image of MNXM167950
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH:17]([C:18](=[O:19])[OH:20])[O:22][OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

sabiork.compound:24678
sabiorkM:24678
ZBNXJJKFWACAPS-HZJYTTRNSA-N
Hydroperoxylinoleic acid
(9Z,12Z)-2-Hydroperoxy-9,12-octadecadienoic acid