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CHEBI:186978 - PA(14:0/22:0)

ChEBI IDCHEBI:186978
ChEBI NamePA(14:0/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H77O8P
Net Charge0
Average Mass705.011
Monoisotopic Mass704.53561
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(41)47-37(36-46-48(42,43)44)35-45-38(40)33-31-29-27-25-23-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1
InChIKeyRVRKTELVIZPMGA-DIPNUNPCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(14:0/22:0) (CHEBI:186978) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-phosphonooxy-3-tetradecanoyloxypropan-2-yl] docosanoate
Manual XrefsDatabases
LMGP10010923LIPID MAPS
HMDB0114788HMDB
74876555ChemSpider