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CHEBI:186499 - PI(12:0/0:0)

ChEBI IDCHEBI:186499
ChEBI NamePI(12:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H41O12P
Net Charge0
Average Mass516.521
Monoisotopic Mass516.23356
SMILESCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C21H41O12P/c1-2-3-4-5-6-7-8-9-10-11-15(23)31-12-14(22)13-32-34(29,30)33-21-19(27)17(25)16(24)18(26)20(21)28/h14,16-22,24-28H,2-13H2,1H3,(H,29,30)/t14-,16?,17-,18?,19?,20?,21?/m1/s1
InChIKeyXRLCEWWZNPSDGB-NXCOFWLSSA-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(12:0/0:0) (CHEBI:186499) is a 1-acylglycerophosphoinositol (CHEBI:16617)
IUPAC Name 
[(2R)-2-hydroxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] dodecanoate
Manual XrefsDatabases
LMGP06050007LIPID MAPS