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CHEBI:187466 - PHODA-PA

ChEBI IDCHEBI:187466
ChEBI NamePHODA-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H57O10P
Net Charge0
Average Mass620.761
Monoisotopic Mass620.36893
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC(O)/C=C/C=O
InChIInChI=1S/C31H57O10P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-30(34)39-26-29(27-40-42(36,37)38)41-31(35)24-19-16-13-14-17-21-28(33)22-20-25-32/h20,22,25,28-29,33H,2-19,21,23-24,26-27H2,1H3,(H2,36,37,38)/b22-20+/t28?,29-/m1/s1
InChIKeyQVIJALCHDWNZAH-SROCVZBCSA-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)
PHODA-PA (CHEBI:187466) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(E)-9-hydroxy-12-oxododec-10-enoyl]oxy-3-phosphonooxypropyl] hexadecanoate
Manual XrefsDatabases
113380988ChemSpider
LMGP20070001LIPID MAPS