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CHEBI:34128 - 11,12,15-THETA

ChEBI IDCHEBI:34128
ChEBI Name11,12,15-THETA
Stars
Last Modified5 March 2018
DownloadsMolfile
FormulaC20H34O5
Net Charge0
Average Mass354.487
Monoisotopic Mass354.24062
SMILESCCCCC[C@H](O)/C=C/C(O)C(O)C/C=C\C/C=C\CCCC(=O)O
InChIInChI=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
InChIKeyPRMWQIVYOYCJQC-YZSNCDGGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (21359215)
Mus musculus (ncbitaxon:10090)
- PubMed (19425150) Source: BioModels - MODEL1507180067
- MetaboLights (MTBLS278) From MetaboLights
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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  Source
11,12,15-THETAKEGG COMPOUND
11,12,15-Trihydroxyicosatrienoic acidKEGG COMPOUND
(5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyeicosa-5,8,12-trienoic acidKEGG COMPOUND
(5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyicosa-5,8,12-trienoic acidKEGG COMPOUND
11,12,15-TriHETREHMDB
11,12,15S-Trihydroxy-5Z,8Z,13E-eicosatrienoic acidHMDB
Manual XrefsDatabases
C14782KEGG COMPOUND
HMDB0004684HMDB
Citations