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CHEBI:65196 - Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/2-OH-24:0)(2−)

ChEBI IDCHEBI:65196
ChEBI NameIns-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/2-OH-24:0)(2−)
Stars
ASCII NameIns-1-P-6-Man-beta1-6-Ins-1-P-Cer(d18:0/2-OH-24:0)(2-)
DefinitionAn inositol phosphomannosylinositol phosphophytoceramide(2−) having an inositol 1-phosphoryl group attached to the mannose residue and a tetracosanoyl group attached to the ceramide nitrogen, with no hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 of the very-long-chain fatty acid. Major species at pH 7.3
Last Modified18 January 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC60H115NO25P2
Net Charge-2
Average Mass1312.510
Monoisotopic Mass1311.72444
SMILESCCCCCCCCCCCCCCCCCCCCCCC(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)CCCCCCCCCCCCCCC
InChIInChI=1S/C60H117NO25P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(63)59(76)61-40(41(62)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)38-81-87(77,78)86-58-54(74)50(70)49(69)53(73)57(58)84-60-55(75)45(65)44(64)43(83-60)39-82-88(79,80)85-56-51(71)47(67)46(66)48(68)52(56)72/h40-58,60,62-75H,3-39H2,1-2H3,(H,61,76)(H,77,78)(H,79,80)/p-2/t40-,41+,42?,43+,44+,45-,46-,47-,48+,49+,50+,51+,52+,53-,54+,55-,56-,57+,58+,60-/m0/s1
InChIKeyYIOXLZJXYRDBIN-CZJBKYDDSA-L
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/2-OH-24:0)(2−) (CHEBI:65196) is a inositol phosphomannosylinositol-1-phosphodihydroceramide(2−) (CHEBI:139067)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/2-OH-24:0)(2−) (CHEBI:65196) is conjugate base of Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/2-OH-24:0) (CHEBI:60441)
Incoming Relation(s)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/2-OH-24:0) (CHEBI:60441) is conjugate acid of Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d18:0/2-OH-24:0)(2−) (CHEBI:65196)
IUPAC Name 
(2S,3R)-3-hydroxy-2-[(2-hydroxytetracosanoyl)amino]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