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CHEBI:60420 - Man-β1-6-Ins-1-P-Cer(t18:0/24:0)

ChEBI IDCHEBI:60420
ChEBI NameMan-β1-6-Ins-1-P-Cer(t18:0/24:0)
Stars
ASCII NameMan-beta1-6-Ins-1-P-Cer(t18:0/24:0)
DefinitionA mannosylated ceramide phosphoinositol compound having a tetracosanoyl group attached to the ceramide nitrogen, with hydroxylation at C-4 of the long-chain base.
Last Modified18 January 2021
Submitterbheavner
DownloadsMolfile
FormulaC54H106NO17P
Net Charge0
Average Mass1072.406
Monoisotopic Mass1071.71984
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)C(O)CCCCCCCCCCCCCC
InChIInChI=1S/C54H106NO17P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-43(58)55-40(44(59)41(57)36-34-32-30-28-26-16-14-12-10-8-6-4-2)39-69-73(67,68)72-53-50(65)48(63)47(62)49(64)52(53)71-54-51(66)46(61)45(60)42(38-56)70-54/h40-42,44-54,56-57,59-66H,3-39H2,1-2H3,(H,55,58)(H,67,68)/t40-,41?,42+,44-,45+,46-,47+,48+,49-,50+,51-,52+,53+,54-/m0/s1
InChIKeyXALIYEYAGRETKK-YUUNQRIMSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
Man-β1-6-Ins-1-P-Cer(t18:0/24:0) (CHEBI:60420) has functional parent Ins-1-P-Cer(t18:0/24:0) (CHEBI:60410)
Man-β1-6-Ins-1-P-Cer(t18:0/24:0) (CHEBI:60420) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
Man-β1-6-Ins-1-P-Cer(t18:0/24:0) (CHEBI:60420) is a mannosylinositol phosphophytoceramide (CHEBI:65000)
Man-β1-6-Ins-1-P-Cer(t18:0/24:0) (CHEBI:60420) is conjugate acid of Man-β1-6-Ins-1-P-Cer(t18:0/24:0)(1−) (CHEBI:65160)
Incoming Relation(s)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/24:0) (CHEBI:60443) has functional parent Man-β1-6-Ins-1-P-Cer(t18:0/24:0) (CHEBI:60420)
Man-β1-6-Ins-1-P-Cer(t18:0/24:0)(1−) (CHEBI:65160) is conjugate base of Man-β1-6-Ins-1-P-Cer(t18:0/24:0) (CHEBI:60420)
IUPAC Names 
(2S,3S)-3,4-dihydroxy-2-(tetracosanoylamino)octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(β-D-mannopyranosyloxy)cyclohexyl hydrogen phosphate
1D-6-O-(β-D-mannopyranosyl)-myo-inositol 1-[(2S,3R)-3,4-dihydroxy-2-(tetracosanoylamino)octadecyl hydrogen phosphate]
Synonyms  Source
MIPC-B (C24)SUBMITTER
MIPC-2 (C24)SUBMITTER
mannosylinositol phosphorylceramide B (C24)ChEBI
mannosylinositol phosphorylceramide B (18:0/24:0)ChEBI
Citations