4-deoxy-β-D-gluc-4-enuronosyl-(1,4)-N-acetyl--D-galactosamine 6-sulfate





Chemical Formula:
C14H19NO14S
Molecular Weight:
457.362 Daltons
Monoisotopic Mass:
459.0682750787 Daltons
SMILES:
CC(=O)NC2(C(O)OC(COS(=O)(=O)[O-])C(OC1(OC(C([O-])=O)=CC(O)C(O)1))C(O)2)
InChI:
1S/C14H21NO14S/c1-4(16)15-8-10(19)11(7(27-13(8)22)3-26-30(23,24)25)29-14-9(18)5(17)2-6(28-14)12(20)21/h2,5,7-11,13-14,17-19,22H,3H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)/p-2/t5-,7+,8+,9+,10+,11-,13?,14-/m0/s1

Synonyms
  • 4-deoxy-β-D-Δ4-GlcAp-(1→4)-D-GalNAc6S

Databases
MetaCyc:  CPD-17756
PubChem (CID):  91820586
MetaNetX:  MNXM14742