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CHEBI:72558 - Ins-1-P-Cer(d20:0/24:0)(1−)

ChEBI IDCHEBI:72558
ChEBI NameIns-1-P-Cer(d20:0/24:0)(1−)
Stars
ASCII NameIns-1-P-Cer(d20:0/24:0)(1-)
DefinitionAn inositol C20 phosphodihydroceramide(1−) in which the N-acyl group is specified as tetracosanoyl; major species at pH 7.3.
Last Modified11 April 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC50H99NO11P
Net Charge-1
Average Mass921.312
Monoisotopic Mass920.69612
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)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H100NO11P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-44(53)51-42(41-61-63(59,60)62-50-48(57)46(55)45(54)47(56)49(50)58)43(52)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h42-43,45-50,52,54-58H,3-41H2,1-2H3,(H,51,53)(H,59,60)/p-1/t42-,43+,45-,46-,47+,48+,49+,50-/m0/s1
InChIKeyWUNMAQLRUBXKIL-PCIXLOPBSA-M
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d20:0/24:0)(1−) (CHEBI:72558) is a inositol C20 phosphodihydroceramide(1−) (CHEBI:72460)
Ins-1-P-Cer(d20:0/24:0)(1−) (CHEBI:72558) is a Ins-1-P-Cer-A 44:0(1−) (CHEBI:75481)
IUPAC Name 
(2S,3R)-3-hydroxy-2-(tetracosanoylamino)icosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
IPC-A 20:0/24:0SUBMITTER
inositol-P-ceramide-A (20:0/24:0)SUBMITTER