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CHEBI:65202 - Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/26:0)(2−)

ChEBI IDCHEBI:65202
ChEBI NameIns-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/26:0)(2−)
Stars
ASCII NameIns-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/26:0)(2-)
DefinitionAn inositol phosphomannosylinositol phosphophytoceramide(2−) having an inositol 1-phosphoryl group linked to the mannose residue (at the 6-position) and a hexacosanoyl group amide-linked to a C18 phytosphingosine base, with no hydroxylation of the C26 very-long-chain fatty acid. Major species at pH 7.3.
Last Modified18 January 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC62H119NO25P2
Net Charge-2
Average Mass1340.564
Monoisotopic Mass1339.75574
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=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]1OC1O[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/C62H121NO25P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(65)63-42(46(66)43(64)38-36-34-32-30-28-16-14-12-10-8-6-4-2)40-83-89(79,80)88-61-57(77)53(73)52(72)56(76)60(61)86-62-58(78)48(68)47(67)44(85-62)41-84-90(81,82)87-59-54(74)50(70)49(69)51(71)55(59)75/h42-44,46-62,64,66-78H,3-41H2,1-2H3,(H,63,65)(H,79,80)(H,81,82)/p-2/t42-,43?,44+,46-,47+,48-,49-,50-,51+,52+,53+,54+,55+,56-,57+,58-,59-,60+,61+,62?/m0/s1
InChIKeyKMTRPPDJIYGURJ-JPCXLDSXSA-L
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/26:0)(2−) (CHEBI:65202) is a inositol phosphomannosylinositol phosphophytoceramide(2−) (CHEBI:64992)
Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/26:0)(2−) (CHEBI:65202) is conjugate base of Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/26:0) (CHEBI:62719)
Incoming Relation(s)
Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/26:0) (CHEBI:62719) is conjugate acid of Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/26:0)(2−) (CHEBI:65202)
IUPAC Name 
(2S,3S)-2-(hexacosanoylamino)-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)-D-mannopyranosyl]oxy}cyclohexyl phosphate