EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186444 - PI(21:0/17:0)

ChEBI IDCHEBI:186444
ChEBI NamePI(21:0/17:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H91O13P
Net Charge0
Average Mass895.206
Monoisotopic Mass894.61973
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C47H91O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h39,42-47,50-54H,3-38H2,1-2H3,(H,55,56)/t39-,42?,43-,44?,45?,46?,47?/m1/s1
InChIKeyMSLGUQNQPIHPGJ-NMPFYRSUSA-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(21:0/17:0) (CHEBI:186444) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2-heptadecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] henicosanoate
Manual XrefsDatabases
LMGP06010651LIPID MAPS