EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188088 - PI-Cer(t20:0/26:0)

ChEBI IDCHEBI:188088
ChEBI NamePI-Cer(t20:0/26:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H104NO12P
Net Charge0
Average Mass966.373
Monoisotopic Mass965.72961
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C52H104NO12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-45(55)53-43(42-64-66(62,63)65-52-50(60)48(58)47(57)49(59)51(52)61)46(56)44(54)40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2/h43-44,46-52,54,56-61H,3-42H2,1-2H3,(H,53,55)(H,62,63)/t43-,44+,46-,47?,48+,49?,50?,51?,52?/m0/s1
InChIKeyMPWLRUHDXQRDFI-NAEBUGJASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
PI-Cer(t20:0/26:0) (CHEBI:188088) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
[(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxyicosyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
Manual XrefsDatabases
LMSP03030023LIPID MAPS