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CHEBI:169613 - PG(13:0/0:0)

ChEBI IDCHEBI:169613
ChEBI NamePG(13:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H39O9P
Net Charge0
Average Mass442.486
Monoisotopic Mass442.23317
SMILESCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C19H39O9P/c1-2-3-4-5-6-7-8-9-10-11-12-19(23)26-14-18(22)16-28-29(24,25)27-15-17(21)13-20/h17-18,20-22H,2-16H2,1H3,(H,24,25)/t17-,18+/m0/s1
InChIKeyAEHBULVOYJOBBW-ZWKOTPCHSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
PG(13:0/0:0) (CHEBI:169613) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] tridecanoate
Manual XrefsDatabases
24823103ChemSpider
LMGP04050007LIPID MAPS