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CHEBI:186255 - PA(16:1(9Z)/22:0)

ChEBI IDCHEBI:186255
ChEBI NamePA(16:1(9Z)/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H79O8P
Net Charge0
Average Mass731.049
Monoisotopic Mass730.55126
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H79O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(43)49-39(38-48-50(44,45)46)37-47-40(42)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h14,16,39H,3-13,15,17-38H2,1-2H3,(H2,44,45,46)/b16-14-/t39-/m1/s1
InChIKeyHCXDIQWRGBEVBD-QRMPNUHKSA-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(16:1(9Z)/22:0) (CHEBI:186255) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(Z)-hexadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] docosanoate
Manual XrefsDatabases
HMDB0114864HMDB
74876628ChemSpider
LMGP10010220LIPID MAPS