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CHEBI:65169 - Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0)(1−)

ChEBI IDCHEBI:65169
ChEBI NameMan-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0)(1−)
Stars
ASCII NameMan-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0)(1-)
DefinitionA mannosylinositol phosphorylceramide(1−) having a hexacosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the C18 sphingoid base, and hydroxylation at C-2 and C-3 of the C26 very-long-chain fatty acid. Major species at pH 7.3.
Last Modified18 January 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC56H109NO19P
Net Charge-1
Average Mass1131.450
Monoisotopic Mass1130.73369
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]1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCC
InChIInChI=1S/C56H110NO19P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(60)45(62)55(70)57-40(44(61)41(59)36-34-32-30-28-26-16-14-12-10-8-6-4-2)39-73-77(71,72)76-54-51(68)49(66)48(65)50(67)53(54)75-56-52(69)47(64)46(63)43(38-58)74-56/h40-54,56,58-69H,3-39H2,1-2H3,(H,57,70)(H,71,72)/p-1/t40-,41?,42?,43+,44-,45?,46+,47-,48+,49+,50-,51+,52-,53+,54+,56?/m0/s1
InChIKeyCDDZETQXNQBXOI-TVABIWGSSA-M
ChEBI Ontology
Outgoing Relation(s)
Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0)(1−) (CHEBI:65169) is a mannosylinositol phosphorylceramide(1−) (CHEBI:64997)
Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0)(1−) (CHEBI:65169) is conjugate base of Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0) (CHEBI:62683)
Incoming Relation(s)
Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0) (CHEBI:62683) is conjugate acid of Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0)(1−) (CHEBI:65169)
IUPAC Name 
(2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl phosphate