4-deoxy-β-D-gluc-4-enuronosyl-(1,3)-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(O)C(OC1(OC(C([O-])=O)=CC(O)C(O)1))2)

InChI:

1S/C14H21NO14S/c1-4(16)15-8-11(10(19)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

InChIKey:

BUJZTFINDCQRGP-ZTVLJYEESA-L

Synonyms

4-deoxy-β-D-Δ⁴-GlcAp-(1→3)-D-GalNAc6S

Databases

MetaCyc: 4-DEOXY-BETA-D-GLUC-4-ENURONOSYL-6S

ChEBI: 57878

PubChem (CID): 46931111

KEGG: C04865

Seed: cpd02957

MetaNetX: MNXM2468