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CHEBI:136816 - 1-oleoyl-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)

ChEBI IDCHEBI:136816
ChEBI Name1-oleoyl-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
Stars
ASCII Name1-oleoyl-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
DefinitionA 3-(3-sn-phosphatidyl)-sn-glycerol 1-phosphate in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and hexadecanoyl respectively.
Last Modified16 April 2018
Submittermwilliams
DownloadsMolfile
FormulaC40H78O13P2
Net Charge0
Average Mass828.999
Monoisotopic Mass828.49177
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-/t37-,38+/m0/s1
InChIKeyWQMDYQSTTXRXLQ-HGWHEPCSSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708)
- MetaboLights (MTBLS312)
- PubMed (27500669)
Roles Classification
Biological Roles:
Brassica napus metabolite  Any plant metabolite that is produced by rapeseed (Brassica napus).
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-oleoyl-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate) (CHEBI:136816) has functional parent hexadecanoic acid (CHEBI:15756)
1-oleoyl-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate) (CHEBI:136816) has functional parent oleic acid (CHEBI:16196)
1-oleoyl-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate) (CHEBI:136816) has role Brassica napus metabolite (CHEBI:140165)
1-oleoyl-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate) (CHEBI:136816) is a 1-(3-sn-phosphatidyl)-sn-glycerol 3-phosphate (CHEBI:37393)
IUPAC Name 
(2R,8S)-2-(hexadecanoyloxy)-5,8,11,11-tetrahydroxy-5,11-dioxo-4,6,10-trioxa-5λ5,11λ5-diphosphaundecan-1-yl (9Z)-octadec-9-enoate
Synonyms  Source
PGP(18:1(9Z)/16:0)HMDB
phosphatidylglycerophosphate 18:1(9Z)/16:0ChEBI
Phosphatidylglycerophosphate (1-octadecenoyl(9Z),2-palmitoyl)ChEBI
1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)ChEBI
1-oleoyl-2-palmitoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)ChEBI
1-[(9Z)-octadecenoyl]-2-hexadcanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)ChEBI
Manual XrefsDatabases
HMDB0013532HMDB