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CHEBI:184793 - PI(13:0/0:0)

ChEBI IDCHEBI:184793
ChEBI NamePI(13:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H43O12P
Net Charge0
Average Mass530.548
Monoisotopic Mass530.24921
SMILESCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C22H43O12P/c1-2-3-4-5-6-7-8-9-10-11-12-16(24)32-13-15(23)14-33-35(30,31)34-22-20(28)18(26)17(25)19(27)21(22)29/h15,17-23,25-29H,2-14H2,1H3,(H,30,31)/t15-,17?,18-,19?,20?,21?,22?/m1/s1
InChIKeyQGSQXOJTKFYHRK-IAORFOOGSA-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(13:0/0:0) (CHEBI:184793) is a 1-acylglycerophosphoinositol (CHEBI:16617)
IUPAC Name 
[(2R)-2-hydroxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] tridecanoate
Manual XrefsDatabases
LMGP06050001LIPID MAPS