ETT

5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid



Chemical Component Summary

Name5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid
Synonyms5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid
Identifiers(2R,3R,4S)-3-acetamido-4-hydroxy-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-2-[(2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-p yran-6-carboxylic acid
FormulaC21 H27 N O8
Molecular Weight421.441
TypeD-SACCHARIDE
Isomeric SMILESCc1ccc(cc1)/C=C/CC2=C(O[C@H]([C@@H]([C@H]2O)NC(=O)C)C([C@@H](CO)O)O)C(=O)O
InChIInChI=1S/C21H27NO8/c1-11-6-8-13(9-7-11)4-3-5-14-17(26)16(22-12(2)24)20(18(27)15(25)10-23)30-19(14)21(28)29/h3-4,6-9,15-18,20,23,25-27H,5,10H2,1-2H3,(H,22,24)(H,28,29)/b4-3+/t15-,16-,17+,18-,20-/m1/s1
InChIKeyCCPSTGRFUHTVNN-ZSEVYCOTSA-N

Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count5
Bond Count58
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 46926586
ChEMBL CHEMBL1232591