CHEBI:190648 - ACar 22:6

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name ACar 22:6
ChEBI ID CHEBI:190648
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H46NO4
Net Charge +1
Average Mass 472.689
Monoisotopic Mass 472.34214
InChI InChI=1S/C29H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22,27H,5,8,11,14,17,20,23-26H2,1-4H3/p+1/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
InChIKey WLLMYDQRCSWAST-BUHCESQUSA-O
SMILES O(C(C[N+](C)(C)C)CC(O)=O)C(=O)CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in liver (BTO:0000759). See: MetaboLights Study
ChEBI Ontology
Outgoing ACar 22:6 (CHEBI:190648) is a O-acylcarnitine (CHEBI:17387)
IUPAC Name
[3-carboxy-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxypropyl]-trimethylazanium