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CHEBI:62696 - Ins-1-P-Cer(d20:0/26:0)

ChEBI IDCHEBI:62696
ChEBI NameIns-1-P-Cer(d20:0/26:0)
Stars
DefinitionAn inositol phosphoceramide compound having a hexacosanoyl group amide-linked to a C20 sphinganine.
Last Modified9 August 2011
Submitterbheavner
DownloadsMolfile
FormulaC52H104NO11P
Net Charge0
Average Mass950.374
Monoisotopic Mass949.73470
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)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C52H104NO11P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-46(55)53-44(43-63-65(61,62)64-52-50(59)48(57)47(56)49(58)51(52)60)45(54)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h44-45,47-52,54,56-60H,3-43H2,1-2H3,(H,53,55)(H,61,62)/t44-,45+,47-,48-,49+,50+,51+,52-/m0/s1
InChIKeyHEMBZZZIBPHUNE-OSOATLSDSA-N
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d20:0/26:0) (CHEBI:62696) is a inositol phosphoceramide (CHEBI:60245)
IUPAC Names 
(2S,3R)-2-(hexacosanoylamino)-3-hydroxyicosyl 1D-myo-inositol hydrogen phosphate
(2S,3R)-2-(hexacosanoylamino)-3-hydroxyicosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
Synonyms  Source
IPC-ASUBMITTER
IPC-1SUBMITTER
inositol-P-ceramide-ASUBMITTER