unsaturated gellan tetrasaccharide

Chemical Formula:

C₂₄H₃₇O₂₀

Molecular Weight:

645.544 Daltons

Monoisotopic Mass:

646.1956436618 Daltons

SMILES:

CC2(OC(OC1(C(O)C(O)OC(CO)C(O)1))C(O)C(O)C2OC3(OC(CO)C(C(O)C(O)3)OC4(OC(C([O-])=O)=CC(O)C(O)4)))

InChI:

1S/C24H38O20/c1-5-17(12(30)14(32)23(38-5)44-19-11(29)8(3-25)39-21(37)16(19)34)42-24-15(33)13(31)18(9(4-26)41-24)43-22-10(28)6(27)2-7(40-22)20(35)36/h2,5-6,8-19,21-34,37H,3-4H2,1H3,(H,35,36)/p-1/t5-,6-,8+,9+,10+,11+,12-,13+,14+,15+,16+,17-,18+,19-,21?,22-,23-,24-/m0/s1

InChIKey:

JMDPLHPAGLYHCI-PQVUBFRASA-M

Synonyms

β-D-4-deoxy-Δ^4,5-GlcAp-(1→4)-β-D-Glcp-(1→4)-α-L-Rhap-(1→3)-D-Glcp

Databases

MetaCyc: CPD-13187

ChEBI: 134390

PubChem (CID): 122706207

MetaNetX: MNXM5068

KEGG: C19965