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CHEBI:62713 - Man-1-6-Ins-1-P-Cer(t20:0/2,3-OH-24:0)

ChEBI IDCHEBI:62713
ChEBI NameMan-1-6-Ins-1-P-Cer(t20:0/2,3-OH-24:0)
Stars
DefinitionA mannosylinositol phosphorylceramide compound having a tetracosanoyl group amide-linked to a C20 phytosphingosine base, with hydroxylation at C-2 and C-3 of the C24 very-long-chain fatty acid.
Last Modified18 January 2021
Submitterbheavner
DownloadsMolfile
FormulaC56H110NO19P
Net Charge0
Average Mass1132.458
Monoisotopic Mass1131.74097
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]1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C56H110NO19P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(60)45(62)55(70)57-40(44(61)41(59)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2)39-73-77(71,72)76-54-51(68)49(66)48(65)50(67)53(54)75-56-52(69)47(64)46(63)43(38-58)74-56/h40-54,56,58-69H,3-39H2,1-2H3,(H,57,70)(H,71,72)/t40-,41?,42?,43+,44-,45?,46+,47-,48+,49+,50-,51+,52-,53+,54+,56?/m0/s1
InChIKeyNLPBXJCGJLSLBI-TVABIWGSSA-N
ChEBI Ontology
Outgoing Relation(s)
Man-1-6-Ins-1-P-Cer(t20:0/2,3-OH-24:0) (CHEBI:62713) has functional parent Ins-1-P-Cer(t20:0/2,3-OH-24:0) (CHEBI:62703)
Man-1-6-Ins-1-P-Cer(t20:0/2,3-OH-24:0) (CHEBI:62713) is a Man-1-6-Ins-1-P-Cer(t20:0) (CHEBI:139436)
Incoming Relation(s)
Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t20:0/2,3-OH-24:0) (CHEBI:62722) has functional parent Man-1-6-Ins-1-P-Cer(t20:0/2,3-OH-24:0) (CHEBI:62713)
IUPAC Names 
(2S,3S)-2-[(2,3-dihydroxytetracosanoyl)amino]-3,4-dihydroxyicosyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl hydrogen phosphate
1D-6-O-(D-mannopyranosyl)-myo-inositol 1-[(2S,3S)-2-[(2,3-dihydroxytetracosanoyl)amino]-3,4-dihydroxyicosyl hydrogen phosphate]
Synonyms  Source
MIPC-DSUBMITTER
MIPC-4SUBMITTER
mannose-inositol-P-ceramide-DSUBMITTER