EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:72845 - 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−)

ChEBI IDCHEBI:72845
ChEBI Name1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−)
Stars
ASCII Name1-octadecanoyl-2-(9Z-octadecenoyl)-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 9Z-octadecenoyl (oleoyl) respectively; major species at pH 7.3.
Last Modified10 December 2013
Submitterabridge
DownloadsMolfile
FormulaC42H80O10P
Net Charge-1
Average Mass776.066
Monoisotopic Mass775.54946
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@@H](O)CO
InChIInChI=1S/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39-40,43-44H,3-17,19,21-38H2,1-2H3,(H,47,48)/p-1/b20-18-/t39-,40+/m0/s1
InChIKeyZEFGRNLJASLRBZ-QIJYXWHJSA-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-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72845) is a 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:64716)
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72845) is a phosphatidylglycerol 36:1(1−) (CHEBI:75199)
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72845) is conjugate base of 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73242)
Incoming Relation(s)
2-oleoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:141490) has functional parent 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72845)
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73242) is conjugate acid of 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72845)
IUPAC Name 
(2S)-2,3-dihydroxypropyl (2R)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl phosphate
Synonyms  Source
PG(18:0/18:1(9Z))SUBMITTER
2-oleoyl-1-stearoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−)ChEBI
1-stearoyl-2-oleoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−)ChEBI
UniProt Name  Source
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)UniProt