Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:57:24 UTC
Update Date2022-08-31 17:40:30 UTC
Metabolite IDMMDBc0030183
Metabolite Identification
Common NameDiacetylchitobiose-6-phosphate
DescriptionDiacetylchitobiose-6-phosphate is a member of the chemical class known as Dihexoses. These are disaccharides containing two hexose carbohydrates. Diacetylchitobiose-6-phosphate is invovled in Chitobiose transport. r 15;80(8):2939-48.)
Structure
Synonyms
ValueSource
Diacetylchitobiose-6-phosphoric acidGenerator
Molecular FormulaC16H29N2O14P
Average Mass504.3802
Monoisotopic Mass504.135640158
IUPAC NameN-[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-[(phosphonooxy)methyl]oxan-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid
Traditional NameN-[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-[(phosphonooxy)methyl]oxan-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid
CAS Registry NumberNot Available
SMILES
[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@@]1([H])N=C(C)O
InChI Identifier
InChI=1S/C16H29N2O14P/c1-5(20)17-9-13(24)14(7(3-19)30-15(9)25)32-16-10(18-6(2)21)12(23)11(22)8(31-16)4-29-33(26,27)28/h7-16,19,22-25H,3-4H2,1-2H3,(H,17,20)(H,18,21)(H2,26,27,28)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-/m1/s1
InChI KeyKYKNQNQCPWDNAK-MVGRPQHISA-N