4-deoxy-β-D-gluc-4-enuronosyl-2-sulfate-(1,3)-N-acetyl-β-D-galactosamine

Chemical Formula:

C₁₄H₁₉NO₁₄S

Molecular Weight:

457.362 Daltons

Monoisotopic Mass:

459.0682750787 Daltons

SMILES:

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

InChI:

1S/C14H21NO14S/c1-4(17)15-8-11(9(19)7(3-16)26-13(8)22)28-14-10(29-30(23,24)25)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:

ZEUCJYOQJTZLFJ-RBCDGZSOSA-L

Synonyms

3-(4-deoxy-β-D-gluc-4-enuronosyl)-2-O-sulfate-N-acetyl-D-galactosamine
4-deoxy-β-D-gluc-4-enuronosyl-2-O-sulfate-(1,3)-N-acetyl-D-galactosamine
4-deoxy-Δ⁴-β-D-GlcAp2S-(1→3)-β-D-GalNAc
chondroitin disaccharide (2'S-monosulfated)

Databases

MetaCyc: CPD-15035

PubChem (CID): 54758557

ChEBI: 63274

MetaNetX: MNXM6876