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CHEBI:189961 - PG(a-13:0/i-12:0)

ChEBI IDCHEBI:189961
ChEBI NamePG(a-13:0/i-12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H61O10P
Net Charge0
Average Mass624.793
Monoisotopic Mass624.40023
SMILESCCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCC(C)C
InChIInChI=1S/C31H61O10P/c1-5-27(4)19-15-11-7-9-12-16-20-30(34)38-24-29(25-40-42(36,37)39-23-28(33)22-32)41-31(35)21-17-13-8-6-10-14-18-26(2)3/h26-29,32-33H,5-25H2,1-4H3,(H,36,37)/t27?,28-,29+/m0/s1
InChIKeySHJITKGNMNMLLJ-CVWZLOPKSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
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(a-13:0/i-12:0) (CHEBI:189961) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(10-methylundecanoyloxy)propyl] 10-methyldodecanoate
Manual XrefsDatabases
HMDB0116642HMDB
74878354ChemSpider