EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185329 - (2-Aminoethoxy)[(2R)-2-[(1Z)-octadec-1-en-1-yloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid

ChEBI IDCHEBI:185329
ChEBI Name(2-Aminoethoxy)[(2R)-2-[(1Z)-octadec-1-en-1-yloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H82NO7P
Net Charge0
Average Mass732.081
Monoisotopic Mass731.58289
SMILESCCCCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C41H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36,40H,3-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b36-33-/t40-/m1/s1
InChIKeyDHNHAOFOINVPBS-DZGZMTAISA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
(2-Aminoethoxy)[(2R)-2-[(1Z)-octadec-1-en-1-yloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid (CHEBI:185329) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-1-enoxy]propyl] octadecanoate
Manual XrefsDatabases
24768489ChemSpider
HMDB0009016HMDB