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CHEBI:183043 - PG(i-14:0/a-13:0)

ChEBI IDCHEBI:183043
ChEBI NamePG(i-14:0/a-13:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H65O10P
Net Charge0
Average Mass652.847
Monoisotopic Mass652.43153
SMILESCCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C33H65O10P/c1-5-29(4)21-17-13-10-11-15-19-23-33(37)43-31(27-42-44(38,39)41-25-30(35)24-34)26-40-32(36)22-18-14-9-7-6-8-12-16-20-28(2)3/h28-31,34-35H,5-27H2,1-4H3,(H,38,39)/t29?,30-,31+/m0/s1
InChIKeyHBXSRKNIIZAAJR-CJZYSFCQSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) Esophagus (BTO:0000959) MetaboLights (MTBLS3014)
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)
PG(i-14:0/a-13:0) (CHEBI:183043) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(10-methyldodecanoyloxy)propyl] 12-methyltridecanoate
Manual XrefsDatabases
HMDB0116690HMDB
74878402ChemSpider