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CHEBI:62699 - Ins-1-P-Cer(t20:0/24:0)

ChEBI IDCHEBI:62699
ChEBI NameIns-1-P-Cer(t20:0/24:0)
Stars
DefinitionA ceramide phosphoinositol compound having a tetracosanoyl group amide-linked to a C20 phytosphingosine base, with no additional hydroxylation of the very-long-chain fatty acid.
Last Modified10 August 2011
Submitterbheavner
DownloadsMolfile
FormulaC50H100NO12P
Net Charge0
Average Mass938.319
Monoisotopic Mass937.69831
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(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C50H100NO12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(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)38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h41-42,44-50,52,54-59H,3-40H2,1-2H3,(H,51,53)(H,60,61)/t41-,42?,44-,45-,46-,47+,48+,49+,50-/m0/s1
InChIKeyJGILWIDXZSKLRW-AYROPOOBSA-N
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(t20:0/24:0) (CHEBI:62699) is a inositol phosphoceramide (CHEBI:60245)
Incoming Relation(s)
Man-1-6-Ins-1-P-Cer(t20:0/24:0) (CHEBI:62709) has functional parent Ins-1-P-Cer(t20:0/24:0) (CHEBI:62699)
IUPAC Names 
(2S,3S)-3,4-dihydroxy-2-(tetracosanoylamino)icosyl 1D-myo-inositol hydrogen phosphate
(2S,3S)-3,4-dihydroxy-2-(tetracosanoylamino)icosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
Synonyms  Source
IPC-BSUBMITTER
IPC-2SUBMITTER
inositol-P-ceramide-BSUBMITTER