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CHEBI:60435 - Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0)

ChEBI IDCHEBI:60435
ChEBI NameMan-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0)
Stars
ASCII NameMan-beta1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0)
DefinitionA mannosylated ceramide phosphoinositol compound having a tetracosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 and C-3 of the very-long-chain fatty acid.
Last Modified18 January 2021
Submitterbheavner
DownloadsMolfile
FormulaC54H106NO19P
Net Charge0
Average Mass1104.404
Monoisotopic Mass1103.70967
SMILESCCCCCCCCCCCCCCCCCCCCCC(O)C(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/C54H106NO19P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(58)43(60)53(68)55-38(42(59)39(57)34-32-30-28-26-24-16-14-12-10-8-6-4-2)37-71-75(69,70)74-52-49(66)47(64)46(63)48(65)51(52)73-54-50(67)45(62)44(61)41(36-56)72-54/h38-52,54,56-67H,3-37H2,1-2H3,(H,55,68)(H,69,70)/t38-,39?,40?,41+,42-,43?,44+,45-,46+,47+,48-,49+,50-,51+,52+,54-/m0/s1
InChIKeyYQMSFXBUDJRUEI-OZMZHQNZSA-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(t18:0/2,3-OH-24:0) (CHEBI:60435) has functional parent Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60414)
Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60435) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60435) is a mannosylinositol phosphophytoceramide (CHEBI:65000)
Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60435) is conjugate acid of Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0)(1−) (CHEBI:65167)
Incoming Relation(s)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60446) has functional parent Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60435)
Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0)(1−) (CHEBI:65167) is conjugate base of Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60435)
IUPAC Names 
1D-6-O-(β-D-mannopyranosyl)-myo-inositol 1-[(2S,3S)-2-[(2,3-dihydroxytetracosanoyl)amino]-3,4-dihydroxyoctadecyl hydrogen phosphate]
(2S,3S)-2-[(2,3-dihydroxytetracosanoyl)amino]-3,4-dihydroxyoctadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(β-D-mannopyranosyloxy)cyclohexyl hydrogen phosphate
Synonyms  Source
MIPC-D (C24)SUBMITTER
MIPC-4 (C24)SUBMITTER
mannosylinositol phosphorylceramide D (C24)ChEBI
mannosylinositol phosphorylceramide D (18:0/24:0)ChEBI
Citations