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CHEBI:78385 - 1-palmityl-2-acetyl-sn-glycero-3-phosphate(2−)

ChEBI IDCHEBI:78385
ChEBI Name1-palmityl-2-acetyl-sn-glycero-3-phosphate(2−)
Stars
ASCII Name1-palmityl-2-acetyl-sn-glycero-3-phosphate(2-)
DefinitionA 1-alkyl-2-acyl-sn-glycero-3-phosphate(2−) obtained by deprotonation of the phosphate OH groups of 1-palmityl-2-acetyl-sn-glycero-3-phosphate; major species at pH 7.3.
Last Modified18 July 2014
Submitterlaimo
DownloadsMolfile
FormulaC21H41O7P
Net Charge-2
Average Mass436.526
Monoisotopic Mass436.26009
SMILESCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])[O-])OC(C)=O
InChIInChI=1S/C21H43O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-18-21(28-20(2)22)19-27-29(23,24)25/h21H,3-19H2,1-2H3,(H2,23,24,25)/p-2/t21-/m1/s1
InChIKeyLFXXHOKHXNWYDX-OAQYLSRUSA-L
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-palmityl-2-acetyl-sn-glycero-3-phosphate(2−) (CHEBI:78385) has functional parent acetate (CHEBI:30089)
1-palmityl-2-acetyl-sn-glycero-3-phosphate(2−) (CHEBI:78385) has functional parent hexadecan-1-ol (CHEBI:16125)
1-palmityl-2-acetyl-sn-glycero-3-phosphate(2−) (CHEBI:78385) is a 1-alkyl-2-acyl-sn-glycero-3-phosphate(2−) (CHEBI:73332)
1-palmityl-2-acetyl-sn-glycero-3-phosphate(2−) (CHEBI:78385) is conjugate base of 1-palmityl-2-acetyl-sn-glycero-3-phosphate (CHEBI:79277)
Incoming Relation(s)
1-palmityl-2-acetyl-sn-glycero-3-phosphate (CHEBI:79277) is conjugate acid of 1-palmityl-2-acetyl-sn-glycero-3-phosphate(2−) (CHEBI:78385)
IUPAC Name 
(2R)-2-acetoxy-3-(hexadecyloxy)propyl phosphate
Synonyms  Source
1-O-hexadecyl-2-acetyl-sn-glycero-3-phosphate(2−)SUBMITTER
PA O-16:0/2:0(2−)SUBMITTER
1-O-palmityl-2-acetyl-sn-glycero-3-phosphate(2−)ChEBI
1-hexadecyl-2-acetyl-sn-glycero-3-phosphate(2−)ChEBI
UniProt Name  Source
1-O-hexadecyl-2-acetyl-sn-glycero-3-phosphateUniProt