Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:42:26 UTC
Update Date2022-08-31 18:22:44 UTC
Metabolite IDMMDBc0031638
Metabolite Identification
Common NameUDP-3-O-(3-Hydroxytetradecanoyl)-D-glucosamine
DescriptionUDP-3-o-(3-hydroxytetradecanoyl)-D-glucosamine is a member of the chemical class known as Pyrimidine Nucleotide Sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.
Structure
Synonyms
ValueSource
UDP-3-O-[(3R)-3-Hydroxytetradecanoyl]-alpha-D-glucosamineChEBI
UDP-3-O-[(3R)-3-Hydroxytetradecanoyl]-a-D-glucosamineGenerator
UDP-3-O-[(3R)-3-Hydroxytetradecanoyl]-α-D-glucosamineGenerator
Molecular FormulaC29H50N3O18P2
Average Mass790.6641
Monoisotopic Mass790.256459835
IUPAC Name1-[(2R,3R,4S,5R)-5-[({[({[(2R,3R,4R,5S,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-2-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-olate
Traditional Name1-[(2R,3R,4S,5R)-5-{[({[(2R,3R,4R,5S,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-2-yl]oxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-olate
CAS Registry NumberNot Available
SMILES
[H][C@@](O)(CCCCCCCCCCC)CC(=O)O[C@]1([H])[C@@]([H])(N)[C@@]([H])(OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=CC([O-])=NC3=O)[C@]([H])(O)[C@]2([H])O)O[C@]([H])(CO)[C@@]1([H])O
InChI Identifier
InChI=1S/C29H51N3O18P2/c1-2-3-4-5-6-7-8-9-10-11-17(34)14-21(36)48-26-22(30)28(47-18(15-33)24(26)38)49-52(43,44)50-51(41,42)45-16-19-23(37)25(39)27(46-19)32-13-12-20(35)31-29(32)40/h12-13,17-19,22-28,33-34,37-39H,2-11,14-16,30H2,1H3,(H,41,42)(H,43,44)(H,31,35,40)/p-1/t17-,18-,19-,22-,23-,24-,25-,26-,27-,28-/m1/s1
InChI KeyZFPNNOXCEDQJQS-SSVOXRMNSA-M