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CHEBI:62704 - Ins-1-P-Cer(t20:0/2,3-OH-26:0)

ChEBI IDCHEBI:62704
ChEBI NameIns-1-P-Cer(t20:0/2,3-OH-26:0)
Stars
DefinitionAn inositol phosphoceramide compound having a hexacosanoyl group amide-linked to a C20 phytosphingosine base, with hydroxylation at C-2 and C-3 of the C26 very-long-chain fatty acid.
Last Modified10 August 2011
Submitterbheavner
DownloadsMolfile
FormulaC52H104NO14P
Net Charge0
Average Mass998.371
Monoisotopic Mass997.71944
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(=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/C52H104NO14P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(55)45(57)52(63)53-41(40-66-68(64,65)67-51-49(61)47(59)46(58)48(60)50(51)62)44(56)42(54)38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h41-51,54-62H,3-40H2,1-2H3,(H,53,63)(H,64,65)/t41-,42?,43?,44-,45?,46-,47-,48+,49+,50+,51-/m0/s1
InChIKeyWVSMEHKNDSWLEM-LGDJGHNWSA-N
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(t20:0/2,3-OH-26:0) (CHEBI:62704) is a inositol phosphoceramide (CHEBI:60245)
IUPAC Names 
(2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyicosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
(2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyicosyl 1D-myo-inositol hydrogen phosphat
Synonyms  Source
IPC-DSUBMITTER
IPC-4SUBMITTER
inositol-P-ceramide-DSUBMITTER