EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182799 - [(2R)-3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-1,1,2,3,3-pentadeuterio-2-hydroxypropyl] heptadecanoate

ChEBI IDCHEBI:182799
ChEBI Name[(2R)-3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-1,1,2,3,3-pentadeuterio-2-hydroxypropyl] heptadecanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H41D5NO7P
Net Charge0
Average Mass472.615
Monoisotopic Mass472.33257
SMILES[2H]C([2H])(OC(=O)CCCCCCCCCCCCCCCC)[C@@]([2H])(O)C([2H])([2H])OP(=O)(O)OCCN
InChIInChI=1S/C22H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23/h21,24H,2-20,23H2,1H3,(H,26,27)/t21-/m1/s1/i19D2,20D2,21D
InChIKeyRVNBVQKDPQVSOY-SFQZDBTHSA-N
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
[(2R)-3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-1,1,2,3,3-pentadeuterio-2-hydroxypropyl] heptadecanoate (CHEBI:182799) is a 1-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:29017)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1,1,2,3,3-pentadeuterio-2-hydroxypropyl] heptadecanoate