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CHEBI:65161 - Man-1-6-Ins-1-P-Cer(t18:0/26:0)(1−)

ChEBI IDCHEBI:65161
ChEBI NameMan-1-6-Ins-1-P-Cer(t18:0/26:0)(1−)
Stars
ASCII NameMan-1-6-Ins-1-P-Cer(t18:0/26:0)(1-)
DefinitionA mannosylinositol phosphorylceramide(1−) having a hexaacosanoyl group amide-linked to a C18 phytosphingosine base, with no hydroxylation of the C26 very long chain fatty acid. Major species at pH 7.3.
Last Modified18 January 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC56H109NO17P
Net Charge-1
Average Mass1099.452
Monoisotopic Mass1098.74386
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]1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCC
InChIInChI=1S/C56H110NO17P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(60)57-42(46(61)43(59)38-36-34-32-30-28-16-14-12-10-8-6-4-2)41-71-75(69,70)74-55-52(67)50(65)49(64)51(66)54(55)73-56-53(68)48(63)47(62)44(40-58)72-56/h42-44,46-56,58-59,61-68H,3-41H2,1-2H3,(H,57,60)(H,69,70)/p-1/t42-,43?,44+,46-,47+,48-,49+,50+,51-,52+,53-,54+,55+,56?/m0/s1
InChIKeyKMUBDVORXSDBQY-FVBHBDHUSA-M
ChEBI Ontology
Outgoing Relation(s)
Man-1-6-Ins-1-P-Cer(t18:0/26:0)(1−) (CHEBI:65161) is a mannosylinositol phosphorylceramide(1−) (CHEBI:64997)
Man-1-6-Ins-1-P-Cer(t18:0/26:0)(1−) (CHEBI:65161) is conjugate base of Man-1-6-Ins-1-P-Cer(t18:0/26:0) (CHEBI:62710)
Incoming Relation(s)
Man-1-6-Ins-1-P-Cer(t18:0/26:0) (CHEBI:62710) is conjugate acid of Man-1-6-Ins-1-P-Cer(t18:0/26:0)(1−) (CHEBI:65161)
IUPAC Name 
(2S,3S)-2-(hexacosanoylamino)-3,4-dihydroxyoctadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl phosphate