EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:228449 - CAR 6:2

ChEBI IDCHEBI:228449
ChEBI NameCAR 6:2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22NO4
Net Charge+1
Average Mass256.322
Monoisotopic Mass256.15433
SMILESC/C=C/C=C/C(=O)OC(CC(=O)O)C[N+](C)(C)C
InChIInChI=1S/C13H21NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h5-8,11H,9-10H2,1-4H3/p+1/b6-5+,8-7+
InChIKeyZNVXKVUKEKVBRW-BSWSSELBSA-O
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
CAR 6:2 (CHEBI:228449) is a O-acylcarnitine (CHEBI:17387)
IUPAC Name 
[3-carboxy-2-[(2E,4E)-hexa-2,4-dienoyl]oxypropyl]-trimethylazanium