EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:65201 - Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/24:0)(2−)

ChEBI IDCHEBI:65201
ChEBI NameIns-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/24:0)(2−)
Stars
ASCII NameIns-1-P-6-Man-beta1-6-Ins-1-P-Cer(t18:0/24:0)(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 no additional hydroxylation of the very-long-chain fatty acid.
Last Modified18 January 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC60H115NO25P2
Net Charge-2
Average Mass1312.510
Monoisotopic Mass1311.72444
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)/p-2/t40-,41?,42+,44-,45+,46-,47-,48-,49+,50+,51+,52+,53+,54-,55+,56-,57-,58+,59+,60-/m0/s1
InChIKeyUGJKYEVDBCDQBN-OGPOPAAKSA-L
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/24:0)(2−) (CHEBI:65201) is a inositol phosphomannosylinositol phosphophytoceramide(2−) (CHEBI:64992)
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)
Incoming Relation(s)
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)
IUPAC Name 
(2S,3S)-3,4-dihydroxy-2-(tetracosanoylamino)octadecyl (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