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CHEBI:62712 - Man-1-6-Ins-1-P-Cer(t18:0/2-OH-26:0)

ChEBI IDCHEBI:62712
ChEBI NameMan-1-6-Ins-1-P-Cer(t18:0/2-OH-26:0)
Stars
DefinitionA mannosylinositol phosphorylceramide compound having a hexacosanoyl group amide-linked to a C18 phytosphingosine base, with hydroxylation at C-2 of the C26 very-long-chain fatty acid.
Last Modified18 January 2021
Submitterbheavner
DownloadsMolfile
FormulaC56H110NO18P
Net Charge0
Average Mass1116.459
Monoisotopic Mass1115.74605
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)C(O)CCCCCCCCCCCCCC
InChIInChI=1S/C56H110NO18P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(60)55(69)57-41(45(61)42(59)37-35-33-31-29-27-16-14-12-10-8-6-4-2)40-72-76(70,71)75-54-51(67)49(65)48(64)50(66)53(54)74-56-52(68)47(63)46(62)44(39-58)73-56/h41-54,56,58-68H,3-40H2,1-2H3,(H,57,69)(H,70,71)/t41-,42?,43?,44+,45-,46+,47-,48+,49+,50-,51+,52-,53+,54+,56?/m0/s1
InChIKeyOLOYCUZQMOZKED-WTDNOUQUSA-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(t18:0/2-OH-26:0) (CHEBI:62712) has functional parent Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53004)
Man-1-6-Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:62712) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
Man-1-6-Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:62712) is a mannosylinositol phosphophytoceramide (CHEBI:65000)
Man-1-6-Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:62712) is conjugate acid of Man-1-6-Ins-1-P-Cer(t18:0/2-OH-26:0)(1−) (CHEBI:65165)
Incoming Relation(s)
Man-1-6-Ins-1-P-Cer(t18:0/2-OH-26:0)(1−) (CHEBI:65165) is conjugate base of Man-1-6-Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:62712)
IUPAC Names 
1D-6-O-(D-mannopyranosyl)-myo-inositol 1-[(2S,3S)-3,4-dihydroxy-2-[(2-hydroxyhexacosanoyl)amino]octadecyl hydrogen phosphate]
(2S,3S)-3,4-dihydroxy-2-[(2-hydroxyhexacosanoyl)amino]octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl hydrogen phosphate
Synonyms  Source
mannose-inositol-P-ceramide-CSUBMITTER
MIPC-3SUBMITTER
MIPC-CSUBMITTER