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CHEBI:185691 - PI(22:0/12:0)

ChEBI IDCHEBI:185691
ChEBI NamePI(22:0/12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H83O13P
Net Charge0
Average Mass839.098
Monoisotopic Mass838.55713
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C43H83O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-25-27-29-31-36(44)53-33-35(55-37(45)32-30-28-26-23-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h35,38-43,46-50H,3-34H2,1-2H3,(H,51,52)/t35-,38?,39-,40?,41?,42?,43?/m1/s1
InChIKeyPIKJEAYUZKASBD-FHYZFUPPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PI(22:0/12:0) (CHEBI:185691) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] docosanoate
Manual XrefsDatabases
LMGP06010819LIPID MAPS