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CHEBI:185357 - (2-Aminoethoxy)[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propoxy]phosphinic acid

ChEBI IDCHEBI:185357
ChEBI Name(2-Aminoethoxy)[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propoxy]phosphinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H74NO7P
Net Charge0
Average Mass699.995
Monoisotopic Mass699.52029
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO/C=C\CCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h14,16-18,31,34,38H,3-13,15,19-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b16-14-,18-17-,34-31-/t38-/m1/s1
InChIKeyLALFTIIBOJSVNP-OBEJFMRTSA-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-[(9Z)-hexadec-9-enoyloxy]-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propoxy]phosphinic acid (CHEBI:185357) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1Z,9Z)-octadeca-1,9-dienoxy]propan-2-yl] (Z)-hexadec-9-enoate
Manual XrefsDatabases
HMDB0011438HMDB
24769322ChemSpider