EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:75833 - (8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid

ChEBI IDCHEBI:75833
ChEBI Name(8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid
Stars
ASCII Name(8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid
Definition(8E,12Z)-10-hydroperoxy-8,12-octadecadienoic acid with S-configuration at C-10.
Last Modified7 October 2013
SubmitterSteve
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESCCCCC/C=C\C[C@@H](/C=C/CCCCCCC(=O)O)OO
InChIInChI=1S/C18H32O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h8,11-12,15,17,21H,2-7,9-10,13-14,16H2,1H3,(H,19,20)/b11-8-,15-12+/t17-/m0/s1
InChIKeyYONQBPOWOZLKHS-NDTUJAEZSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid (CHEBI:75833) is a (8E,12Z)-10-hydroperoxy-8,12-octadecadienoic acid (CHEBI:64008)
(8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid (CHEBI:75833) is conjugate acid of (8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoate (CHEBI:75346)
(8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid (CHEBI:75833) is enantiomer of (8E,10R,12Z)-10-hydroperoxy-8,12-octadecadienoic acid (CHEBI:64006)
Incoming Relation(s)
(8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoate (CHEBI:75346) is conjugate base of (8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid (CHEBI:75833)
(8E,10R,12Z)-10-hydroperoxy-8,12-octadecadienoic acid (CHEBI:64006) is enantiomer of (8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid (CHEBI:75833)
IUPAC Name 
(8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid
Synonyms  Source
10S-HpODELIPID MAPS
10S-hydroperoxy-8E,12Z-octadecadienoic acidLIPID MAPS
Manual XrefsDatabases
LMFA02000286LIPID MAPS