CHEBI:34128 - 11,12,15-THETA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 11,12,15-THETA
ChEBI ID CHEBI:34128
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H34O5
Net Charge 0
Average Mass 354.482
Monoisotopic Mass 354.24062
InChI InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+/t17-,18?,19?/m0/s1
InChIKey PRMWQIVYOYCJQC-YZSNCDGGSA-N
SMILES CCCCC[C@H](O)\C=C\C(O)C(O)C\C=C/C\C=C/CCCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Mus musculus (NCBI:txid10090) From MetaboLights See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 11,12,15-THETA (CHEBI:34128) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
IUPAC Name
(5Z,8Z,13E,15S)-11,12,15-trihydroxyicosa-5,8,13-trienoic acid
Synonyms Sources
(5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyeicosa-5,8,12-trienoic acid KEGG COMPOUND
(5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyicosa-5,8,12-trienoic acid KEGG COMPOUND
11,12,15-THETA KEGG COMPOUND
11,12,15-TriHETRE HMDB
11,12,15-Trihydroxyicosatrienoate HMDB
11,12,15-Trihydroxyicosatrienoic acid KEGG COMPOUND
11,12,15S-Trihydroxy-5Z,8Z,13E-eicosatrienoate HMDB
11,12,15S-Trihydroxy-5Z,8Z,13E-eicosatrienoic acid HMDB
Manual Xrefs Databases
C14782 KEGG COMPOUND
HMDB0004684 HMDB
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Citations Waiting for Citations Types Sources
12907422 PubMed citation Europe PMC
14622984 PubMed citation Europe PMC
15388505 PubMed citation Europe PMC
16024567 PubMed citation Europe PMC
21359215 PubMed citation Europe PMC
Last Modified
05 March 2018