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CHEBI:65157 - Man-1-6-Ins-1-P-Cer(d20:0/26:0)(1−)

ChEBI IDCHEBI:65157
ChEBI NameMan-1-6-Ins-1-P-Cer(d20:0/26:0)(1−)
Stars
ASCII NameMan-1-6-Ins-1-P-Cer(d20:0/26:0)(1-)
DefinitionA mannosylinositol phosphorylceramide(1−) having a hexacosanoyl group amide-linked to a C20 sphinganine base, with no hydroxylation at C-4 of the long-chain base or on the C26 very-long-chain fatty acid.
Last Modified18 January 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC58H113NO16P
Net Charge-1
Average Mass1111.507
Monoisotopic Mass1110.78025
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)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C58H114NO16P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-48(62)59-45(46(61)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2)44-72-76(70,71)75-57-54(68)52(66)51(65)53(67)56(57)74-58-55(69)50(64)49(63)47(43-60)73-58/h45-47,49-58,60-61,63-69H,3-44H2,1-2H3,(H,59,62)(H,70,71)/p-1/t45-,46+,47+,49+,50-,51+,52+,53-,54+,55-,56+,57+,58?/m0/s1
InChIKeyXGYQPQQQKFLIET-KSXPKWGSSA-M
ChEBI Ontology
Outgoing Relation(s)
Man-1-6-Ins-1-P-Cer(d20:0/26:0)(1−) (CHEBI:65157) is a Man-1-6-Ins-1-P-Cer(d20:0)(1−) (CHEBI:138894)
Man-1-6-Ins-1-P-Cer(d20:0/26:0)(1−) (CHEBI:65157) is conjugate base of Man-1-6-Ins-1-P-Cer(d20:0/26:0) (CHEBI:65229)
Incoming Relation(s)
Man-1-6-Ins-1-P-Cer(d20:0/26:0) (CHEBI:65229) is conjugate acid of Man-1-6-Ins-1-P-Cer(d20:0/26:0)(1−) (CHEBI:65157)
IUPAC Name 
(2S,3S)-2-(hexacosanoylamino)-3-hydroxyicosyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl phosphate