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CHEBI:65158 - Man-β1-6-Ins-1-P-Cer(d18:0/2-OH-24:0)(1−)

ChEBI IDCHEBI:65158
ChEBI NameMan-β1-6-Ins-1-P-Cer(d18:0/2-OH-24:0)(1−)
Stars
ASCII NameMan-beta1-6-Ins-1-P-Cer(d18:0/2-OH-24:0)(1-)
DefinitionA mannosylinositol phosphorylceramide(1−) having a tetracosanoyl group attached to the ceramide nitrogen, with hydroxylation at C-2 of the very-long-chain fatty acid.
Last Modified18 January 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC54H105NO17P
Net Charge-1
Average Mass1071.398
Monoisotopic Mass1070.71256
SMILESCCCCCCCCCCCCCCCCCCCCCCC(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]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C54H106NO17P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(58)53(66)55-40(41(57)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-69-73(67,68)72-52-49(64)47(62)46(61)48(63)51(52)71-54-50(65)45(60)44(59)43(38-56)70-54/h40-52,54,56-65H,3-39H2,1-2H3,(H,55,66)(H,67,68)/p-1/t40-,41+,42?,43+,44+,45-,46+,47+,48-,49+,50-,51+,52+,54-/m0/s1
InChIKeyJANMBMKTOMMZFP-XFLQRXLWSA-M
ChEBI Ontology
Outgoing Relation(s)
Man-β1-6-Ins-1-P-Cer(d18:0/2-OH-24:0)(1−) (CHEBI:65158) is a mannosylinositol-1-phosphodihydroceramide(1−) (CHEBI:139065)
Man-β1-6-Ins-1-P-Cer(d18:0/2-OH-24:0)(1−) (CHEBI:65158) is conjugate base of Man-β1-6-Ins-1-P-Cer(d18:0/2-OH-24:0) (CHEBI:60418)
Incoming Relation(s)
Man-β1-6-Ins-1-P-Cer(d18:0/2-OH-24:0) (CHEBI:60418) is conjugate acid of Man-β1-6-Ins-1-P-Cer(d18:0/2-OH-24:0)(1−) (CHEBI:65158)
IUPAC Name 
(2S,3R)-3-hydroxy-2-[(2-hydroxytetracosanoyl)amino]octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(β-D-mannopyranosyloxy)cyclohexyl phosphate