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15-hydroperoxyeicosa-8Z,11Z,13E-trienoate

MNXM150211 is deprecated and here replaced by MNXM1363642
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363642 Image of MNXM1363642
referencebiggM:CE6230
formulaC20H33O4
global charge-1
mol weight337.48
InChIKeyIUXBNSNRPLXHER-UHFFFAOYSA-M
InChIInChI=1S/C20H34O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,9,11,14,17,19,23H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,21,22)/p-1
SMILESCCCCCC(C=CC=CCC=CCCCCCCC(=O)[O-])OO
MNX internals
InChI (mnx)InChI=1/C20H34O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,9,11,14,17,19,23H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,21,22)/b5-4?,11-9?,17-14?/t19? Image of MNXM1363642
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:13][CH2:16][CH:19]([CH:17]=[CH:14][CH:11]=[CH:9][CH2:7][CH:5]=[CH:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:15][CH2:18][C:20](=[O:21])[OH:22])[O:24][OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE6230
biggM:CE6230
vmhM:CE6230
vmhmetabolite:CE6230
IUXBNSNRPLXHER-UHFFFAOYSA-M 		15-hydroperoxyeicosa-8Z,11Z,13E-trienoate

biggM:M_CE6230
vmhM:M_CE6230 		secondary/obsolete/fantasy identifier