CHEBI:84525 - 1,2-di-(9E-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-di-(9E-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
ChEBI ID CHEBI:84525
ChEBI ASCII Name 1,2-di-(9E-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
Definition A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which both acyl groups are specified as (9E)-octadecenoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C42H79O10P
Net Charge 0
Average Mass 775.04440
Monoisotopic Mass 774.54109
InChI InChI=1S/C42H79O10P/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/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48)/b19-17+,20-18+/t39-,40+/m0/s1
InChIKey DSNRWDQKZIEDDB-ZQXBMSQTSA-N
SMILES CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC\C=C\CCCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via phosphatidylglycerol )
Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidylglycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,2-di-(9E-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:84525) has functional parent elaidic acid (CHEBI:27997)
1,2-di-(9E-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:84525) has role mouse metabolite (CHEBI:75771)
1,2-di-(9E-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:84525) is a 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:64961)
IUPAC Name
(2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9E)-octadec-9-enoyloxy]propyl (9E)-octadec-9-enoate
Synonym Source
PG(18:1(9E)/18:1(9E)) LIPID MAPS
Manual Xref Database
LMGP04010033 LIPID MAPS
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Last Modified
23 February 2015