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CHEBI:65204 - Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0)(2−)

ChEBI IDCHEBI:65204
ChEBI NameIns-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0)(2−)
Stars
ASCII NameIns-1-P-6-Man-beta1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0)(2-)
DefinitionAn inositol phosphomannosylinositol phosphophytoceramide(2−) 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. Major species at pH 7.3.
Last Modified18 January 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC60H115NO27P2
Net Charge-2
Average Mass1344.508
Monoisotopic Mass1343.71427
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)/p-2/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-L
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0)(2−) (CHEBI:65204) is a inositol phosphomannosylinositol phosphophytoceramide(2−) (CHEBI:64992)
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)
Incoming Relation(s)
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)
IUPAC Name 
(2S,3S)-2-[(2,3-dihydroxytetracosanoyl)amino]-3,4-dihydroxyoctadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[6-O-({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphinato)-β-D-mannopyranosyl]oxy}cyclohexyl phosphate