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CHEBI:136386 - 1-icosanoyl-2-docosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)

ChEBI IDCHEBI:136386
ChEBI Name1-icosanoyl-2-docosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
Stars
ASCII Name1-icosanoyl-2-docosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
DefinitionA 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which the phosphatidyl acyl groups at positions 1 and 2 are specified as icosanoyl and docosanoyl respectively.
Last Modified19 January 2018
Submittermwilliams
DownloadsMolfile
FormulaC48H95O10P
Net Charge0
Average Mass863.252
Monoisotopic Mass862.66629
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C48H95O10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-48(52)58-46(44-57-59(53,54)56-42-45(50)41-49)43-55-47(51)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h45-46,49-50H,3-44H2,1-2H3,(H,53,54)/t45-,46+/m0/s1
InChIKeyDGZMFCXXQXIQKW-CRCOQUFZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- MetaboLights (MTBLS364)
- PubMed (27635669)
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-icosanoyl-2-docosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:136386) has functional parent docosanoic acid (CHEBI:28941)
1-icosanoyl-2-docosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:136386) has functional parent icosanoic acid (CHEBI:28822)
1-icosanoyl-2-docosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:136386) has role human xenobiotic metabolite (CHEBI:76967)
1-icosanoyl-2-docosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:136386) is a 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:64961)
1-icosanoyl-2-docosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:136386) is a phosphatidylglycerol 42:0 (CHEBI:136385)
IUPAC Name 
(23R,29S)-26,29,30-trihydroxy-20,26-dioxo-21,25,27-trioxa-26λ5-phosphatriacontan-23-yl docosanoate
Synonyms  Source
1-arachidoyl-2-docosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)ChEBI
1-eicosanoyl-2-docosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)ChEBI
1-eicosanoyl-2-docosanoyl-glycero-3-phospho-(1'-sn-glycerol)LIPID MAPS
PG(20:0/22:0)ChEBI
phosphatidylglycerol 20:0/22:0ChEBI
Manual XrefsDatabases
LMGP04010947LIPID MAPS