CHEBI:133903 - 8(S),15(S)-DiHETE(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 8(S),15(S)-DiHETE(1−)
ChEBI ID CHEBI:133903
ChEBI ASCII Name 8(S),15(S)-DiHETE(1-)
Definition A DiHETE(1−) that is the conjugate base of 8(S),15(S)-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C20H31O4
Net Charge -1
Average Mass 335.459
Monoisotopic Mass 335.22278
InChI InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/p-1/b5-4-,11-6-,14-9+,15-10+/t18-,19+/m0/s1
InChIKey NNPWRKSGORGTIM-HCCKYKKOSA-M
SMILES C(=C\C=C\[C@H](CCCCC)O)\C=C\[C@H](C/C=C\CCCC([O-])=O)O
ChEBI Ontology
Outgoing 8(S),15(S)-DiHETE(1−) (CHEBI:133903) is a dihydroxyicosatetraenoate (CHEBI:131877)
8(S),15(S)-DiHETE(1−) (CHEBI:133903) is a long-chain fatty acid anion (CHEBI:57560)
8(S),15(S)-DiHETE(1−) (CHEBI:133903) is conjugate base of 8(S),15(S)-DiHETE (CHEBI:136485)
Incoming 8(S),15(S)-DiHETE (CHEBI:136485) is conjugate acid of 8(S),15(S)-DiHETE(1−) (CHEBI:133903)
IUPAC Name
(5Z,8S,9E,11Z,13E,15S)-8,15-dihydroxyicosa-5,9,11,13-tetraenoate
Synonyms Sources
(5Z,8S,9E,11Z,13E,15S)-8,15-dihydroxyeicosatetraenoate ChEBI
(5Z,8S,9E,11Z,13E,15S)-8,15-dihydroxyicosatetraenoate ChEBI
(8S,15S)-DiHETE(1−) ChEBI
(8S,15S)-dihydroxy-(5Z,9E,11Z,13E)-eicosatetraenoate UniProt
(8S,15S)-dihydroxy-(5Z,9E,11Z,13E)-icosatetraenoate SUBMITTER
Citation Waiting for Citations Type Source
16143298 PubMed citation SUBMITTER
Last Modified
08 March 2017