EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:171691 - 3-Hydroxyhexadecadienoylcarnitine

ChEBI IDCHEBI:171691
ChEBI Name3-Hydroxyhexadecadienoylcarnitine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H41NO5
Net Charge0
Average Mass411.583
Monoisotopic Mass411.29847
SMILESCCC/C=C\C/C=C\CCCCCC(O)CC(=O)O[C@@H](CCC(=O)[O-])[N+](C)(C)C
InChIInChI=1S/C23H41NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19-23(28)29-21(24(2,3)4)17-18-22(26)27/h7-8,10-11,20-21,25H,5-6,9,12-19H2,1-4H3/b8-7-,11-10-/t20?,21-/m0/s1
InChIKeyCBBAYEUCTOLHMQ-WLXWJKFFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxyhexadecadienoylcarnitine (CHEBI:171691) is a 3-hydroxy carboxylic acid (CHEBI:61355)
IUPAC Name 
(4S)-4-[(9Z,12Z)-3-hydroxyhexadeca-9,12-dienoyl]oxy-4-(trimethylazaniumyl)butanoate
Manual XrefsDatabases
HMDB0013335HMDB
35032594ChemSpider