EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:72831 - 2-hexadecanoyl-1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−)

ChEBI IDCHEBI:72831
ChEBI Name2-hexadecanoyl-1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−)
Stars
ASCII Name2-hexadecanoyl-1-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 octadecanoyl (stearoyl) and hexadecanoyl (palmitoyl) respectively; major species at pH 7.3.
Last Modified17 April 2013
Submitterabridge
DownloadsMolfile
FormulaC40H78O10P
Net Charge-1
Average Mass750.028
Monoisotopic Mass749.53381
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/p-1/t37-,38+/m0/s1
InChIKeyWYVBOKLMHDFYQD-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)
2-hexadecanoyl-1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72831) is a 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:64716)
2-hexadecanoyl-1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72831) is conjugate base of 2-hexadecanoyl-1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73207)
Incoming Relation(s)
2-hexadecanoyl-1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73207) is conjugate acid of 2-hexadecanoyl-1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72831)
IUPAC Name 
(2S)-2,3-dihydroxypropyl (2R)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propyl phosphate
Synonyms  Source
PG(18:0/16:0)SUBMITTER
2-palmitoyl-1-stearoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−)ChEBI
18:0-16:0-PGMetaCyc
1-18:0-2-16:0-phosphatidylglycerolMetaCyc
UniProt Name  Source
1-octadecanoyl-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)UniProt
Manual XrefsDatabases
CPD-8262MetaCyc