3-(4-deoxy-β-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine

Chemical Formula:

C₁₄H₂₀NO₁₁

Molecular Weight:

378.312 Daltons

Monoisotopic Mass:

379.11146052239997 Daltons

SMILES:

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

InChI:

1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/p-1/t5-,7+,8+,9+,10+,11+,13?,14-/m0/s1

InChIKey:

DLGJWSVWTWEWBJ-ZDLRKIOHSA-M

Synonyms

β-D-4-deoxy-Δ⁴-GlcAp-(1→3)-β-D-GlcNAc
3-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose
4-deoxy-β-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-glucosamine

Databases

MetaCyc: CPD-13473

ChEBI: 132151

PubChem (CID): 91820239

HMDB: HMDB60071

KEGG: C04794

Seed: cpd02913

MetaNetX: MNXM3926