4-deoxy-β-L-erythro-hex-4-enopyranuronosyl-(1,4)-D-N-sulfoglucosamine

Chemical Formula:

C₁₂H₁₇NO₁₃S

Molecular Weight:

415.325 Daltons

Monoisotopic Mass:

417.05771039240005 Daltons

SMILES:

C(O)C1(OC(O)C(NS(=O)(=O)[O-])C(O)C1OC2(C(O)C(O)C=C(C([O-])=O)O2))

InChI:

1S/C12H19NO13S/c14-2-5-9(8(17)6(11(20)24-5)13-27(21,22)23)26-12-7(16)3(15)1-4(25-12)10(18)19/h1,3,5-9,11-17,20H,2H2,(H,18,19)(H,21,22,23)/p-2/t3-,5+,6+,7+,8+,9+,11?,12-/m0/s1

InChIKey:

BWLVBDNSYNAYLV-NODFLXBDSA-L

Databases

MetaCyc: CPD-17702

PubChem (CID): 91820061

MetaNetX: MNXM147826