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CHEBI:169445 - PI(O-16:0/18:0)

ChEBI IDCHEBI:169445
ChEBI NamePI(O-16:0/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H85O12P
Net Charge0
Average Mass825.115
Monoisotopic Mass824.57786
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C43H85O12P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(44)54-36(34-52-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)35-53-56(50,51)55-43-41(48)39(46)38(45)40(47)42(43)49/h36,38-43,45-49H,3-35H2,1-2H3,(H,50,51)/t36-,38?,39-,40?,41?,42?,43?/m1/s1
InChIKeyDHGJBRFNOCFHGJ-KYDMUPIRSA-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-16:0/18:0) (CHEBI:169445) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-hexadecoxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] octadecanoate
Manual XrefsDatabases
LMGP06020081LIPID MAPS