EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:165600 - CAR(21:0)

ChEBI IDCHEBI:165600
ChEBI NameCAR(21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H55NO4
Net Charge0
Average Mass469.751
Monoisotopic Mass469.41311
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C28H55NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(32)33-26(24-27(30)31)25-29(2,3)4/h26H,5-25H2,1-4H3/t26-/m1/s1
InChIKeyDZUIUBMZQFPGGK-AREMUKBSSA-N
ChEBI Ontology
Outgoing Relation(s)
CAR(21:0) (CHEBI:165600) is a O-acylcarnitine (CHEBI:17387)
IUPAC Name 
(3R)-3-henicosanoyloxy-4-(trimethylazaniumyl)butanoate