EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:184445 - PG(A-13:0/I-22:0)

ChEBI IDCHEBI:184445
ChEBI NamePG(A-13:0/I-22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H81O10P
Net Charge0
Average Mass765.063
Monoisotopic Mass764.55674
SMILESCCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C41H81O10P/c1-5-37(4)29-25-21-18-19-22-26-30-40(44)48-34-39(35-50-52(46,47)49-33-38(43)32-42)51-41(45)31-27-23-17-15-13-11-9-7-6-8-10-12-14-16-20-24-28-36(2)3/h36-39,42-43H,5-35H2,1-4H3,(H,46,47)/t37?,38-,39+/m0/s1
InChIKeyOBXSLDOCKGRRBK-CIEWJMJXSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
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-22:0) (CHEBI:184445) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 20-methylhenicosanoate
Manual XrefsDatabases
74878364ChemSpider
HMDB0116652HMDB