EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:65156 - Man-β1-6-Ins-1-P-Cer(d18:0/24:0)(1−)

ChEBI IDCHEBI:65156
ChEBI NameMan-β1-6-Ins-1-P-Cer(d18:0/24:0)(1−)
Stars
ASCII NameMan-beta1-6-Ins-1-P-Cer(d18:0/24:0)(1-)
DefinitionA mannosylinositol phosphorylceramide(1−) having a tetracosanoyl group attached to the ceramide nitrogen, with no hydroxylation at C-4 of the long-chain base or on the very-long-chain fatty acid.
Last Modified19 January 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC54H105NO16P
Net Charge-1
Average Mass1055.399
Monoisotopic Mass1054.71765
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=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/C54H106NO16P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(58)55-41(42(57)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-68-72(66,67)71-53-50(64)48(62)47(61)49(63)52(53)70-54-51(65)46(60)45(59)43(39-56)69-54/h41-43,45-54,56-57,59-65H,3-40H2,1-2H3,(H,55,58)(H,66,67)/p-1/t41-,42+,43+,45+,46-,47+,48+,49-,50+,51-,52+,53+,54-/m0/s1
InChIKeyGZIVPMFXRVKOKZ-YYMTZJTJSA-M
ChEBI Ontology
Outgoing Relation(s)
Man-β1-6-Ins-1-P-Cer(d18:0/24:0)(1−) (CHEBI:65156) is a mannosylinositol-1-phosphodihydroceramide(1−) (CHEBI:139065)
Man-β1-6-Ins-1-P-Cer(d18:0/24:0)(1−) (CHEBI:65156) is conjugate base of Man-β1-6-Ins-1-P-Cer(d18:0/24:0) (CHEBI:60416)
Incoming Relation(s)
Man-β1-6-Ins-1-P-Cer(d18:0/24:0) (CHEBI:60416) is conjugate acid of Man-β1-6-Ins-1-P-Cer(d18:0/24:0)(1−) (CHEBI:65156)
IUPAC Name 
(2S,3S)-3-hydroxy-2-(tetracosanoylamino)octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(β-D-mannopyranosyloxy)cyclohexyl phosphate
UniProt Name  Source
Man-β1-6-Ins-1-P-Cer(d18:0/24:0)UniProt