CHEBI:60955 - 9(S)-HPODE(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9(S)-HPODE(1−)
ChEBI ID CHEBI:60955
ChEBI ASCII Name 9(S)-HPODE(1-)
Definition A monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of 9(S)-HPODE.
Stars This entity has been manually annotated by the ChEBI Team.
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Download Molfile XML SDF
Formula C18H31O4
Net Charge -1
Average Mass 311.43630
Monoisotopic Mass 311.22278
InChI InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b8-6-,14-11+/t17-/m1/s1
InChIKey JGUNZIWGNMQSBM-UINYOVNOSA-M
SMILES CCCCC\C=C/C=C/[C@H](CCCCCCCC([O-])=O)OO
ChEBI Ontology
Outgoing 9(S)-HPODE(1−) (CHEBI:60955) is a 9-HPODE(1−) (CHEBI:146293)
9(S)-HPODE(1−) (CHEBI:60955) is a HPODE(1−) (CHEBI:131862)
9(S)-HPODE(1−) (CHEBI:60955) is a monocarboxylic acid anion (CHEBI:35757)
9(S)-HPODE(1−) (CHEBI:60955) is conjugate base of 9(S)-HPODE (CHEBI:34498)
9(S)-HPODE(1−) (CHEBI:60955) is enantiomer of 9(R)-HPODE(1−) (CHEBI:63323)
Incoming 9(S)-HPODE (CHEBI:34498) is conjugate acid of 9(S)-HPODE(1−) (CHEBI:60955)
9(R)-HPODE(1−) (CHEBI:63323) is enantiomer of 9(S)-HPODE(1−) (CHEBI:60955)
IUPAC Name
(9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate
Synonyms Sources
(10E,12Z)-(9S)-9-hydroperoxyoctadeca-10,12-dienoate ChEBI
(9S)-hydroperoxy-(10E,12Z)-octadecadienoate UniProt
(9S,10E,12Z)-9-hydroperoxy-10,12-octadecadienoate ChEBI
9(S)-HPOD(1−) ChEBI
Citations
Last Modified
21 November 2016