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CHEBI:65163 - Man-β1-6-Ins-1-P-Cer(t18:0/2-OH-24:0)(1−)

Default Structure
ChEBI IDCHEBI:65163
ChEBI NameMan-β1-6-Ins-1-P-Cer(t18:0/2-OH-24:0)(1−)
Stars
ASCII NameMan-beta1-6-Ins-1-P-Cer(t18:0/2-OH-24:0)(1-)
DefinitionA mannosylinositol phosphorylceramide(1−) having a tetracosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 of the very-long-chain fatty acid.
Last Modified18 January 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC54H105NO18P
Net Charge-1
Average Mass1087.397
Monoisotopic Mass1086.70748
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)C(O)CCCCCCCCCCCCCC
InChIInChI=1S/C54H106NO18P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(58)53(67)55-39(43(59)40(57)35-33-31-29-27-25-16-14-12-10-8-6-4-2)38-70-74(68,69)73-52-49(65)47(63)46(62)48(64)51(52)72-54-50(66)45(61)44(60)42(37-56)71-54/h39-52,54,56-66H,3-38H2,1-2H3,(H,55,67)(H,68,69)/p-1/t39-,40?,41?,42+,43-,44+,45-,46+,47+,48-,49+,50-,51+,52+,54-/m0/s1
InChIKeyHVXJHKJMUGDFHR-GYJUQVBOSA-M
ChEBI Ontology
Outgoing Relation(s)
Man-β1-6-Ins-1-P-Cer(t18:0/2-OH-24:0)(1−) (CHEBI:65163) is a mannosylinositol phosphorylceramide(1−) (CHEBI:64997)
Man-β1-6-Ins-1-P-Cer(t18:0/2-OH-24:0)(1−) (CHEBI:65163) is conjugate base of Man-β1-6-Ins-1-P-Cer(t18:0/2-OH-24:0) (CHEBI:60422)
Incoming Relation(s)
Man-β1-6-Ins-1-P-Cer(t18:0/2-OH-24:0) (CHEBI:60422) is conjugate acid of Man-β1-6-Ins-1-P-Cer(t18:0/2-OH-24:0)(1−) (CHEBI:65163)
IUPAC Name 
(2S,3S)-3,4-dihydroxy-2-[(2-hydroxytetracosanoyl)amino]octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(β-D-mannopyranosyloxy)cyclohexyl phosphate