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CHEBI:62700 - Ins-1-P-Cer(t20:0/26:0)

ChEBI IDCHEBI:62700
ChEBI NameIns-1-P-Cer(t20:0/26:0)
Stars
DefinitionA ceramide phosphoinositol compound having a hexacosanoyl 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
FormulaC52H104NO12P
Net Charge0
Average Mass966.373
Monoisotopic Mass965.72961
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)C(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C52H104NO12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-45(55)53-43(42-64-66(62,63)65-52-50(60)48(58)47(57)49(59)51(52)61)46(56)44(54)40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2/h43-44,46-52,54,56-61H,3-42H2,1-2H3,(H,53,55)(H,62,63)/t43-,44?,46-,47-,48-,49+,50+,51+,52-/m0/s1
InChIKeyMPWLRUHDXQRDFI-BBKCMACZSA-N
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(t20:0/26:0) (CHEBI:62700) is a inositol phosphoceramide (CHEBI:60245)
IUPAC Names 
(2S,3S)-2-(hexacosanoylamino)-3,4-dihydroxyicosyl 1D-myo-inositol hydrogen phosphate
(2S,3S)-2-(hexacosanoylamino)-3,4-dihydroxyicosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
Synonyms  Source
IPC-BSUBMITTER
IPC-2SUBMITTER
inositol-P-ceramide-BSUBMITTER