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CHEBI:65194 - Ins-1-P-6-Man-1-6-Ins-1-P-Cer(d18:0/26:0)(2−)

Default Structure
ChEBI IDCHEBI:65194
ChEBI NameIns-1-P-6-Man-1-6-Ins-1-P-Cer(d18:0/26:0)(2−)
Stars
ASCII NameIns-1-P-6-Man-1-6-Ins-1-P-Cer(d18:0/26:0)(2-)
DefinitionAn inositol phosphomannosylinositol phosphophytoceramide(2−) having an inositol 1-phosphoryl group linked at the 6-position to the mannose residue and a hexacosanoyl group amide-linked to a C18 sphinganine base, with no hydroxylation at C-4 of the long-chain base or on the C26 very-long-chain fatty acid. Major species at pH 7.3.
Last Modified18 January 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC62H119NO24P2
Net Charge-2
Average Mass1324.565
Monoisotopic Mass1323.76082
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)CCCCCCCCCCCCCCC
InChIInChI=1S/C62H121NO24P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(65)63-43(44(64)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)41-82-88(78,79)87-61-57(76)53(72)52(71)56(75)60(61)85-62-58(77)48(67)47(66)45(84-62)42-83-89(80,81)86-59-54(73)50(69)49(68)51(70)55(59)74/h43-45,47-62,64,66-77H,3-42H2,1-2H3,(H,63,65)(H,78,79)(H,80,81)/p-2/t43-,44+,45+,47+,48-,49-,50-,51+,52+,53+,54+,55+,56-,57+,58-,59-,60+,61+,62?/m0/s1
InChIKeyUWNGTCLGBRQASV-AXTQDXTKSA-L
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-6-Man-1-6-Ins-1-P-Cer(d18:0/26:0)(2−) (CHEBI:65194) is a inositol phosphomannosylinositol-1-phosphodihydroceramide(2−) (CHEBI:139067)
Ins-1-P-6-Man-1-6-Ins-1-P-Cer(d18:0/26:0)(2−) (CHEBI:65194) is a Ins-1-P-6-Man-1-6-Ins-1-P-Cer(d18:0/26:0) (CHEBI:62715)
IUPAC Name 
(2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadecyl (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)-D-mannopyranosyl]oxy}cyclohexyl phosphate