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CHEBI:186931 - PHODA-PG

ChEBI IDCHEBI:186931
ChEBI NamePHODA-PG
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H63O12P
Net Charge0
Average Mass694.840
Monoisotopic Mass694.40571
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCC(O)/C=C/C=O
InChIInChI=1S/C34H63O12P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-33(39)43-28-32(29-45-47(41,42)44-27-31(38)26-36)46-34(40)24-19-16-13-14-17-21-30(37)22-20-25-35/h20,22,25,30-32,36-38H,2-19,21,23-24,26-29H2,1H3,(H,41,42)/b22-20+/t30?,31-,32+/m0/s1
InChIKeyCOLUWGFNUOBYCM-RSYDUVJZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Roles:
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)
PHODA-PG (CHEBI:186931) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(E)-9-hydroxy-12-oxododec-10-enoyl]oxypropyl] hexadecanoate
Manual XrefsDatabases
LMGP20060001LIPID MAPS
113380952ChemSpider