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CHEBI:84787 - 1,2-dipalmitoyl-sn-glycero-3-phosphoethanol(1−)

ChEBI IDCHEBI:84787
ChEBI Name1,2-dipalmitoyl-sn-glycero-3-phosphoethanol(1−)
Stars
ASCII Name1,2-dipalmitoyl-sn-glycero-3-phosphoethanol(1-)
DefinitionA phosphatidylethanol(1−) obtained by deprotonation of the phosphate OH group of 1,2-dipalmitoyl-sn-glycero-3-phosphoethanol; major species at pH 7.3.
Last Modified14 June 2018
Submitterlaimo
DownloadsMolfile
FormulaC37H72O8P
Net Charge-1
Average Mass675.949
Monoisotopic Mass675.49703
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C37H73O8P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-36(38)42-33-35(34-44-46(40,41)43-6-3)45-37(39)32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h35H,4-34H2,1-3H3,(H,40,41)/p-1/t35-/m1/s1
InChIKeyUYHAERNXVVKSCT-PGUFJCEWSA-M
ChEBI Ontology
Outgoing Relation(s)
1,2-dipalmitoyl-sn-glycero-3-phosphoethanol(1−) (CHEBI:84787) is a phosphatidylethanol(1−) (CHEBI:84672)
1,2-dipalmitoyl-sn-glycero-3-phosphoethanol(1−) (CHEBI:84787) is conjugate base of 1,2-dipalmitoyl-sn-glycero-3-phosphoethanol (CHEBI:85431)
Incoming Relation(s)
1,2-dipalmitoyl-sn-glycero-3-phosphoethanol (CHEBI:85431) is conjugate acid of 1,2-dipalmitoyl-sn-glycero-3-phosphoethanol(1−) (CHEBI:84787)
IUPAC Name 
(2R)-2,3-bis(hexadecanoyloxy)propyl ethyl phosphate
Synonyms  Source
1,2-dipalmitoyl-sn-phosphatidylethanol(1−)SUBMITTER
1,2-dipalmitoylphosphatidylethanol(1−)ChEBI
1,2-dihexadecanoylphosphatidylethanol(1−)ChEBI
UniProt Name  Source
1,2-hexadecanoyl-sn-glycero-3-phosphoethanolUniProt
Registry NumbersSources
Reaxys:3779298Reaxys