CHEBI:230639 - 3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(nonanoyloxy)propyl nonanoate

ChEBI IDCHEBI:230639
ChEBI Name3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(nonanoyloxy)propyl nonanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H46NO8P
Net Charge0
Average Mass495.594
Monoisotopic Mass495.29610
SMILESCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC
InChIInChI=1S/C23H46NO8P/c1-3-5-7-9-11-13-15-22(25)29-19-21(20-31-33(27,28)30-18-17-24)32-23(26)16-14-12-10-8-6-4-2/h21H,3-20,24H2,1-2H3,(H,27,28)
InChIKeyLLHCULZCDVFEMO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(nonanoyloxy)propyl nonanoate (CHEBI:230639) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-nonanoyloxypropyl] nonanoate
Manual XrefsDatabases
7825934ChemSpider
LMGP02010285LIPID MAPS