EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187451 - PI(O-18:0/19:1(9Z))

ChEBI IDCHEBI:187451
ChEBI NamePI(O-18:0/19:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H89O12P
Net Charge0
Average Mass865.180
Monoisotopic Mass864.60916
SMILESCCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C46H89O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(47)57-39(38-56-59(53,54)58-46-44(51)42(49)41(48)43(50)45(46)52)37-55-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,39,41-46,48-52H,3-18,20,22-38H2,1-2H3,(H,53,54)/b21-19-/t39-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKeyWAQBBBWUGHHRNI-OWARAUFRSA-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-18:0/19:1(9Z)) (CHEBI:187451) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-octadecoxypropan-2-yl] (Z)-nonadec-9-enoate
Manual XrefsDatabases
LMGP06020034LIPID MAPS