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CHEBI:60443 - Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/24:0)

ChEBI IDCHEBI:60443
ChEBI NameIns-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/24:0)
Stars
ASCII NameIns-1-P-6-Man-beta1-6-Ins-1-P-Cer(t18:0/24:0)
DefinitionAn inositol phosphomannosylinositol phosphoceramide compound having a tetracosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long-chain base, and no additional hydroxylation of the very-long-chain fatty acid.
Last Modified18 January 2021
Submitterbheavner
DownloadsMolfile
FormulaC60H117NO25P2
Net Charge0
Average Mass1314.526
Monoisotopic Mass1313.73899
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=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/C60H117NO25P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-43(63)61-40(44(64)41(62)36-34-32-30-28-26-16-14-12-10-8-6-4-2)38-81-87(77,78)86-59-55(75)51(71)50(70)54(74)58(59)84-60-56(76)46(66)45(65)42(83-60)39-82-88(79,80)85-57-52(72)48(68)47(67)49(69)53(57)73/h40-42,44-60,62,64-76H,3-39H2,1-2H3,(H,61,63)(H,77,78)(H,79,80)/t40-,41?,42+,44-,45+,46-,47-,48-,49+,50+,51+,52+,53+,54-,55+,56-,57-,58+,59+,60-/m0/s1
InChIKeyUGJKYEVDBCDQBN-OGPOPAAKSA-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(t18:0/24:0) (CHEBI:60443) has functional parent Man-β1-6-Ins-1-P-Cer(t18:0/24:0) (CHEBI:60420)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/24:0) (CHEBI:60443) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/24:0) (CHEBI:60443) is a inositol phosphomannosylinositol-1-phospho-N-acylphytosphingosine (CHEBI:139529)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/24:0) (CHEBI:60443) is conjugate acid of Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/24:0)(2−) (CHEBI:65201)
Incoming Relation(s)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/24:0)(2−) (CHEBI:65201) is conjugate base of Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/24:0) (CHEBI:60443)
IUPAC Names 
1D-6-O-{[6-O-(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)-D-mannopyranosyl]}-myo-inositol 1-[(2S,3S)-3,4-dihydroxy-2-(tetracosanoylamino)octadecyl hydrogen phosphate]
(2S,3S)-3,4-dihydroxy-2-(tetracosanoylamino)octadecyl (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)-D-mannopyranosyl]oxy}cyclohexyl hydrogen phosphate
Synonyms  Source
M(IP)2C-B (C24)SUBMITTER
M(IP)2C-2 (C24)SUBMITTER
inositol phosphomannosylinositol phosphoceramide B (C24)ChEBI
inositol phosphomannosylinositol phosphoceramide B (18:0/24:0)ChEBI
Citations