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CHEBI:60446 - Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0)

ChEBI IDCHEBI:60446
ChEBI NameIns-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0)
Stars
ASCII NameIns-1-P-6-Man-beta1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0)
DefinitionAn inositol phosphomannosylinositol phosphoceramide 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
FormulaC60H117NO27P2
Net Charge0
Average Mass1346.524
Monoisotopic Mass1345.72882
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](COP(=O)(O)O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCC
InChIInChI=1S/C60H117NO27P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(63)43(65)59(78)61-38(42(64)39(62)34-32-30-28-26-24-16-14-12-10-8-6-4-2)36-83-89(79,80)88-58-54(76)50(72)49(71)53(75)57(58)86-60-55(77)45(67)44(66)41(85-60)37-84-90(81,82)87-56-51(73)47(69)46(68)48(70)52(56)74/h38-58,60,62-77H,3-37H2,1-2H3,(H,61,78)(H,79,80)(H,81,82)/t38-,39?,40?,41+,42-,43?,44+,45-,46-,47-,48+,49+,50+,51+,52+,53-,54+,55-,56-,57+,58+,60-/m0/s1
InChIKeyWIOUEBUIPRZJNK-FVMRZCOXSA-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)
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)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60446) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60446) is a inositol phosphomannosylinositol-1-phospho-N-acylphytosphingosine (CHEBI:139529)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60446) is conjugate acid of Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0)(2−) (CHEBI:65204)
Incoming Relation(s)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0)(2−) (CHEBI:65204) is conjugate base of Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60446)
IUPAC Names 
(2S,3S)-2-[(2,3-dihydroxytetracosanoyl)amino]-3,4-dihydroxyoctadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[6-O-(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)-β-D-mannopyranosyl]oxy}cyclohexyl hydrogen phosphate
1D-6-O-{[6-O-(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)-β-D-mannopyranosyl]}-myo-inositol 1-[(2S,3S)-2-[(2,3-dihydroxytetracosanoyl)amino]-3,4-dihydroxyoctadecyl hydrogen phosphate]
Synonyms  Source
M(IP)2C-D (C24)SUBMITTER
M(IP)2C-4 (C24)SUBMITTER
inositol phosphomannosylinositol phosphoceramide D (C24)ChEBI
inositol phosphomannosylinositol phosphoceramide D (18:0/24:0)ChEBI
Citations