EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:185932 - PI(21:0/0:0)

ChEBI IDCHEBI:185932
ChEBI NamePI(21:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H59O12P
Net Charge0
Average Mass642.764
Monoisotopic Mass642.37441
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C30H59O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(32)40-21-23(31)22-41-43(38,39)42-30-28(36)26(34)25(33)27(35)29(30)37/h23,25-31,33-37H,2-22H2,1H3,(H,38,39)/t23-,25?,26-,27?,28?,29?,30?/m1/s1
InChIKeyLNYWGWKZLIMANB-DQIJCYRQSA-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(21:0/0:0) (CHEBI:185932) is a 1-acylglycerophosphoinositol (CHEBI:16617)
IUPAC Name 
[(2R)-2-hydroxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] henicosanoate
Manual XrefsDatabases
LMGP06050025LIPID MAPS