EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:72839 - 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−)

Default Structure
ChEBI IDCHEBI:72839
ChEBI Name1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−)
Stars
ASCII Name1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-)
DefinitionA 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and octadecanoyl (stearoyl) respectively; major species at pH 7.3.
Last Modified18 April 2013
Submitterabridge
DownloadsMolfile
FormulaC40H78O10P
Net Charge-1
Average Mass750.028
Monoisotopic Mass749.53381
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@@H](O)CO
InChIInChI=1S/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/p-1/t37-,38+/m0/s1
InChIKeyKBPVYRBBONZJHF-QPPIDDCLSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72839) is a 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:64716)
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72839) is conjugate base of 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73241)
Incoming Relation(s)
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73241) is conjugate acid of 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72839)
IUPAC Name 
(2S)-2,3-dihydroxypropyl (2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propyl phosphate
Synonyms  Source
1-palmitoyl-2-stearoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−)ChEBI
PG(16:0/18:0)SUBMITTER
UniProt Name  Source
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)UniProt