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CHEBI:60439 - Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/24:0)

ChEBI IDCHEBI:60439
ChEBI NameIns-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/24:0)
Stars
ASCII NameIns-1-P-6-Man-beta1-6-Ins-1-P-Cer(d18:0/24:0)
DefinitionAn inositol phosphomannosylinositol phosphoceramide compound having a tetracosanoyl group attached to the ceramide nitrogen.
Last Modified18 January 2021
Submitterbheavner
DownloadsMolfile
FormulaC60H117NO24P2
Net Charge0
Average Mass1298.527
Monoisotopic Mass1297.74408
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)CCCCCCCCCCCCCCC
InChIInChI=1S/C60H117NO24P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(63)61-41(42(62)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)39-80-86(76,77)85-59-55(74)51(70)50(69)54(73)58(59)83-60-56(75)46(65)45(64)43(82-60)40-81-87(78,79)84-57-52(71)48(67)47(66)49(68)53(57)72/h41-43,45-60,62,64-75H,3-40H2,1-2H3,(H,61,63)(H,76,77)(H,78,79)/t41-,42+,43+,45+,46-,47-,48-,49+,50+,51+,52+,53+,54-,55+,56-,57-,58+,59+,60-/m0/s1
InChIKeyJDYOTZJYALHJPI-VREYUTKGSA-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(d18:0/24:0) (CHEBI:60439) has functional parent Man-β1-6-Ins-1-P-Cer(d18:0/24:0) (CHEBI:60416)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/24:0) (CHEBI:60439) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/24:0) (CHEBI:60439) is a inositol phosphomannosylinositol-1-phosphodihydroceramide (CHEBI:139531)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/24:0) (CHEBI:60439) is conjugate acid of Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/24:0)(2−) (CHEBI:65193)
Incoming Relation(s)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/24:0)(2−) (CHEBI:65193) is conjugate base of Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/24:0) (CHEBI:60439)
IUPAC Names 
(2S,3R)-3-hydroxy-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)-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,3R)-3-hydroxy-2-(tetracosanoylamino)octadecyl hydrogen phosphate]
Synonyms  Source
M(IP)2C-ASUBMITTER
M(IP)2C-1SUBMITTER
inositol phosphomannosylinositol phosphoceramide A (C24)ChEBI
inositol phosphomannosylinositol phosphoceramide A (18:0/24:0)ChEBI
Citations