EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186298 - PI(O-16:0/21:0)

ChEBI IDCHEBI:186298
ChEBI NamePI(O-16:0/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H91O12P
Net Charge0
Average Mass867.196
Monoisotopic Mass866.62481
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C46H91O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-40(47)57-39(37-55-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2)38-56-59(53,54)58-46-44(51)42(49)41(48)43(50)45(46)52/h39,41-46,48-52H,3-38H2,1-2H3,(H,53,54)/t39-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKeyGXURWWZWEPNULU-UWDKVQQMSA-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(O-16:0/21:0) (CHEBI:186298) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-hexadecoxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] henicosanoate
Manual XrefsDatabases
LMGP06020015LIPID MAPS