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CHEBI:65154 - Ins-1-P-Cer(t18:0/24:0)(1−)

ChEBI IDCHEBI:65154
ChEBI NameIns-1-P-Cer(t18:0/24:0)(1−)
Stars
ASCII NameIns-1-P-Cer(t18:0/24:0)(1-)
DefinitionAn inositol phosphophytoceramide(1−) having a tetracosanoyl group attached to the ceramide nitrogen. Major species at pH 7.3.
Last Modified12 July 2012
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC48H95NO12P
Net Charge-1
Average Mass909.257
Monoisotopic Mass908.65974
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=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/C48H96NO12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(51)49-39(38-60-62(58,59)61-48-46(56)44(54)43(53)45(55)47(48)57)42(52)40(50)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-40,42-48,50,52-57H,3-38H2,1-2H3,(H,49,51)(H,58,59)/p-1/t39-,40-,42-,43-,44-,45+,46+,47+,48-/m0/s1
InChIKeyOBGQZGVSCDFIHI-XEABWKLFSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(t18:0/24:0)(1−) (CHEBI:65154) is a inositol phosphophytoceramide(1−) (CHEBI:64993)
Ins-1-P-Cer(t18:0/24:0)(1−) (CHEBI:65154) is conjugate base of Ins-1-P-Cer(t18:0/24:0) (CHEBI:60410)
Incoming Relation(s)
Ins-1-P-Cer(t18:0/24:0) (CHEBI:60410) is conjugate acid of Ins-1-P-Cer(t18:0/24:0)(1−) (CHEBI:65154)
IUPAC Name 
(2S,3S,4S)-3,4-dihydroxy-2-(tetracosanoylamino)octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate