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CHEBI:169531 - PI(O-16:0/15:0)

ChEBI IDCHEBI:169531
ChEBI NamePI(O-16:0/15:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H79O12P
Net Charge0
Average Mass783.034
Monoisotopic Mass782.53091
SMILESCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C40H79O12P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-49-31-33(51-34(41)29-27-25-23-21-19-16-14-12-10-8-6-4-2)32-50-53(47,48)52-40-38(45)36(43)35(42)37(44)39(40)46/h33,35-40,42-46H,3-32H2,1-2H3,(H,47,48)/t33-,35?,36-,37?,38?,39?,40?/m1/s1
InChIKeyRSGVPLSRCVFJJZ-ASDGNHDVSA-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)
PI(O-16:0/15:0) (CHEBI:169531) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-hexadecoxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] pentadecanoate
Manual XrefsDatabases
LMGP06020006LIPID MAPS