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CHEBI:65159 - Man-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0)(1−)

ChEBI IDCHEBI:65159
ChEBI NameMan-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0)(1−)
Stars
ASCII NameMan-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0)(1-)
DefinitionA mannosylinositol phosphorylceramide(1−) having a hexacosanoyl group amide-linked to a C18 sphinganine base, with hydroxylation at C-2 of the C26 very-long-chain fatty acid.
Last Modified18 January 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC56H109NO17P
Net Charge-1
Average Mass1099.452
Monoisotopic Mass1098.74386
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(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)CCCCCCCCCCCCCCC
InChIInChI=1S/C56H110NO17P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-44(60)55(68)57-42(43(59)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2)41-71-75(69,70)74-54-51(66)49(64)48(63)50(65)53(54)73-56-52(67)47(62)46(61)45(40-58)72-56/h42-54,56,58-67H,3-41H2,1-2H3,(H,57,68)(H,69,70)/p-1/t42-,43+,44?,45+,46+,47-,48+,49+,50-,51+,52-,53+,54+,56?/m0/s1
InChIKeyWCPYEFQTGIENAG-DOGSVZHBSA-M
ChEBI Ontology
Outgoing Relation(s)
Man-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0)(1−) (CHEBI:65159) is a Man-1-6-Ins-1-P-Cer(d18:0)(1−) (CHEBI:138893)
Man-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0)(1−) (CHEBI:65159) is conjugate base of Man-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0) (CHEBI:62708)
Incoming Relation(s)
Man-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0) (CHEBI:62708) is conjugate acid of Man-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0)(1−) (CHEBI:65159)
IUPAC Name 
(2S,3R)-3-hydroxy-2-[(2-hydroxyhexacosanoyl)amino]octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl phosphate