4-deoxy-β-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 4-sulfate

Chemical Formula:

C₁₄H₁₉NO₁₄S

Molecular Weight:

457.362 Daltons

Monoisotopic Mass:

459.0682750787 Daltons

SMILES:

CC(=O)NC2(C(O)OC(CO)C(OS(=O)(=O)[O-])C(OC1(OC(C([O-])=O)=CC(O)C(O)1))2)

InChI:

1S/C14H21NO14S/c1-4(17)15-8-11(10(29-30(23,24)25)7(3-16)26-13(8)22)28-14-9(19)5(18)2-6(27-14)12(20)21/h2,5,7-11,13-14,16,18-19,22H,3H2,1H3,(H,15,17)(H,20,21)(H,23,24,25)/p-2/t5-,7+,8+,9+,10-,11+,13?,14-/m0/s1

InChIKey:

BWBRFVRXCBBDEH-ZTVLJYEESA-L

Synonyms

β-D-4-deoxy-Δ⁴-GlcAp-(1→3)-β-D-GalNAc4S

Databases

MetaCyc: CPD-12563

ChEBI: 83963

PubChem (CID): 86583472

KEGG: C04864

Seed: cpd02956

MetaNetX: MNXM2467