EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:65155 - Ins-1-P-Cer(t18:0/26:0)(1−)

ChEBI IDCHEBI:65155
ChEBI NameIns-1-P-Cer(t18:0/26:0)(1−)
Stars
ASCII NameIns-1-P-Cer(t18:0/26:0)(1-)
DefinitionAn inositol phosphophytoceramide(1−) having a hexacosanoyl group attached to the ceramide nitrogen. Major species at pH 7.3.
Last Modified12 July 2012
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC50H99NO12P
Net Charge-1
Average Mass937.311
Monoisotopic Mass936.69104
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C50H100NO12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-43(53)51-41(40-62-64(60,61)63-50-48(58)46(56)45(55)47(57)49(50)59)44(54)42(52)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h41-42,44-50,52,54-59H,3-40H2,1-2H3,(H,51,53)(H,60,61)/p-1/t41-,42-,44-,45-,46-,47+,48+,49+,50-/m0/s1
InChIKeyZAWCXEGDYSBAHF-OKCLXCGZSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(t18:0/26:0)(1−) (CHEBI:65155) is a inositol phosphophytoceramide(1−) (CHEBI:64993)
Ins-1-P-Cer(t18:0/26:0)(1−) (CHEBI:65155) is conjugate base of Ins-1-P-Cer(t18:0/26:0) (CHEBI:60412)
Incoming Relation(s)
Ins-1-P-Cer(t18:0/26:0) (CHEBI:60412) is conjugate acid of Ins-1-P-Cer(t18:0/26:0)(1−) (CHEBI:65155)
IUPAC Name 
(2S,3S,4S)-2-(hexacosanoylamino)-3,4-dihydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate