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CHEBI:187376 - PHOOA-PA

ChEBI IDCHEBI:187376
ChEBI NamePHOOA-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H49O10P
Net Charge0
Average Mass564.653
Monoisotopic Mass564.30633
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCC(O)/C=C/C=O
InChIInChI=1S/C27H49O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(30)35-22-25(23-36-38(32,33)34)37-27(31)20-15-17-24(29)18-16-21-28/h16,18,21,24-25,29H,2-15,17,19-20,22-23H2,1H3,(H2,32,33,34)/b18-16+/t24?,25-/m1/s1
InChIKeyCBAXRHWCQNAQGB-IQBDFAPESA-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)
PHOOA-PA (CHEBI:187376) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(E)-5-hydroxy-8-oxooct-6-enoyl]oxy-3-phosphonooxypropyl] hexadecanoate
Manual XrefsDatabases
113380992ChemSpider
LMGP20070005LIPID MAPS