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CHEBI:185591 - PI(20:0/0:0)

ChEBI IDCHEBI:185591
ChEBI NamePI(20:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H57O12P
Net Charge0
Average Mass628.737
Monoisotopic Mass628.35876
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C29H57O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)39-20-22(30)21-40-42(37,38)41-29-27(35)25(33)24(32)26(34)28(29)36/h22,24-30,32-36H,2-21H2,1H3,(H,37,38)/t22-,24?,25-,26?,27?,28?,29?/m1/s1
InChIKeyPEXRQSSMRCDBAO-WBVHZOJDSA-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(20:0/0:0) (CHEBI:185591) is a 1-acylglycerophosphoinositol (CHEBI:16617)
IUPAC Name 
[(2R)-2-hydroxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] icosanoate
Manual XrefsDatabases
LMGP06050011LIPID MAPS