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CHEBI:62708 - Man-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0)

ChEBI IDCHEBI:62708
ChEBI NameMan-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0)
Stars
DefinitionA mannosylinositol phosphorylceramide compound 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
Submitterbheavner
DownloadsMolfile
FormulaC56H110NO17P
Net Charge0
Average Mass1100.460
Monoisotopic Mass1099.75114
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)/t42-,43+,44?,45+,46+,47-,48+,49+,50-,51+,52-,53+,54+,56?/m0/s1
InChIKeyWCPYEFQTGIENAG-DOGSVZHBSA-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-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0) (CHEBI:62708) has functional parent Ins-1-P-Cer(d18:0/2-OH-26:0) (CHEBI:60409)
Man-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0) (CHEBI:62708) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
Man-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0) (CHEBI:62708) is a Man-1-6-Ins-1-P-Cer(d18:0) (CHEBI:139446)
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)
Incoming Relation(s)
Ins-1-P-6-Man-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0) (CHEBI:62717) has functional parent Man-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0) (CHEBI:62708)
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)
IUPAC Names 
1D-6-O-(D-mannopyranosyl)-myo-inositol 1-[(2S,3S)-3-hydroxy-2-[(2-hydroxyhexacosanoyl)amino]octadecyl hydrogen phosphate]
(2S,3S)-3-hydroxy-2-[(2-hydroxyhexacosanoyl)amino]octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl hydrogen phosphate
Synonyms  Source
MIPC-B'SUBMITTER
MIPC-2'SUBMITTER
mannose-inositol-P-ceramide-B'SUBMITTER