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CHEBI:65193 - Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/24:0)(2−)

ChEBI IDCHEBI:65193
ChEBI NameIns-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/24:0)(2−)
Stars
ASCII NameIns-1-P-6-Man-beta1-6-Ins-1-P-Cer(d18:0/24:0)(2-)
DefinitionAn inositol phosphomannosylinositol phosphophytoceramide(2−) having a tetracosanoyl group attached to the ceramide nitrogen. Major species at pH 7.3.
Last Modified18 January 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC60H115NO24P2
Net Charge-2
Average Mass1296.511
Monoisotopic Mass1295.72952
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)/p-2/t41-,42+,43+,45+,46-,47-,48-,49+,50+,51+,52+,53+,54-,55+,56-,57-,58+,59+,60-/m0/s1
InChIKeyJDYOTZJYALHJPI-VREYUTKGSA-L
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/24:0)(2−) (CHEBI:65193) is a inositol phosphomannosylinositol-1-phosphodihydroceramide(2−) (CHEBI:139067)
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)
Incoming Relation(s)
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)
IUPAC Name 
(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}phosphinato)-β-D-mannopyranosyl]oxy}cyclohexyl phosphate