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CHEBI:62695 - Ins-1-P-Cer(d20:0/24:0)

ChEBI IDCHEBI:62695
ChEBI NameIns-1-P-Cer(d20:0/24:0)
Stars
DefinitionAn inositol phosphoceramide compound having a tetracosanoyl group amide-linked to a C20 sphinganine.
Last Modified9 August 2011
Submitterbheavner
DownloadsMolfile
FormulaC50H100NO11P
Net Charge0
Average Mass922.320
Monoisotopic Mass921.70340
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)/t42-,43+,45-,46-,47+,48+,49+,50-/m0/s1
InChIKeyWUNMAQLRUBXKIL-PCIXLOPBSA-N
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d20:0/24:0) (CHEBI:62695) is a inositol phosphoceramide (CHEBI:60245)
Incoming Relation(s)
Man-1-6-Ins-1-P-Cer(d20:0/24:0) (CHEBI:62705) has functional parent Ins-1-P-Cer(d20:0/24:0) (CHEBI:62695)
IUPAC Names 
(2S,3R)-3-hydroxy-2-(tetracosanoylamino)icosyl 1D-myo-inositol hydrogen phosphate
(2S,3R)-3-hydroxy-2-(tetracosanoylamino)icosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
Synonyms  Source
IPC-1SUBMITTER
IPC-ASUBMITTER