CHEBI:94442 - [3-carboxy-2-(1-oxohexadecoxy)propyl]-trimethylammonium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name [3-carboxy-2-(1-oxohexadecoxy)propyl]-trimethylammonium
ChEBI ID CHEBI:94442
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H46NO4
Net Charge +1
Average Mass 400.617
Monoisotopic Mass 400.34214
InChI InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/p+1
InChIKey XOMRRQXKHMYMOC-UHFFFAOYSA-O
SMILES CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
ChEBI Ontology
Outgoing [3-carboxy-2-(1-oxohexadecoxy)propyl]-trimethylammonium (CHEBI:94442) is a acylcholine (CHEBI:35287)
Manual Xref Database
LSM-5151 LINCS
View more database links