CHEBI:89745 - 9,12-Hexadecadienoylcarnitine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9,12-Hexadecadienoylcarnitine
ChEBI ID CHEBI:89745
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB3286555, eMolecules:536963, ZINC000000895503
Download Molfile XML SDF
Formula C23H41NO4
Net Charge 0
Average Mass 395.577
Monoisotopic Mass 395.30356
InChI InChI=1S/C23H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(24(2,3)4)19-20-22(25)26/h7-8,10-11,21H,5-6,9,12-20H2,1-4H3/b8-7-,11-10-/t21-/m0/s1
InChIKey AHZCIODFJPNPKS-XBDLETADSA-N
SMILES [C@H](CCC([O-])=O)([N+](C)(C)C)OC(CCCCCCC/C=C\C/C=C\CCC)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
ChEBI Ontology
Outgoing 9,12-Hexadecadienoylcarnitine (CHEBI:89745) is a polyunsaturated fatty ester (CHEBI:145039)
Synonyms Sources
(4S)-4-[(9Z,12Z)-hexadeca-9,12-dienoyloxy]-4-(trimethylazaniumyl)butanoate HMDB
(Z,Z)9,12-hexadecadienoylcarnitine HMDB
9(Z),12(Z)-Hexadecadienoylcarnitine HMDB
9,12-Hexadecadienylcarnitine HMDB
9Z,12Z-Hexadecadienoylcarnitine HMDB
Acyl carnitine C16:2 HMDB
Hexadecadienyl-L-carnitine HMDB
Manual Xref Database
HMDB0013334 HMDB
View more database links
Citations Waiting for Citations
Last Modified
07 October 2019