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beta-D-GlcA-(1->4)-alpha-D-GlcNAc6S-(1->4)-D-GlcA

Properties

Image

Occurences in reactions

MNX_ID

MNXM103136

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₀H₃₁NO₂₁S

charge

mass

653.11093

reference

chebi:65144

InChIKey

GPVUMDXYYUIUAP-DICUPYAKSA-N

InChI

InChI=1S/C20H31NO21S/c1-3(22)21-5-6(23)12(40-20-11(28)7(24)8(25)14(42-20)16(29)30)4(2-37-43(34,35)36)38-19(5)41-13-9(26)10(27)18(33)39-15(13)17(31)32/h4-15,18-20,23-28,33H,2H2,1H3,(H,21,22)(H,29,30)(H,31,32)(H,34,35,36)/t4-,5-,6-,7+,8+,9-,10-,11-,12-,13+,14+,15+,18?,19-,20-/m1/s1

SMILES

CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](C(=O)O)OC(O)[C@H](O)[C@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65144 chebi:65144	beta-D-GlcA-(1->4)-alpha-D-GlcNAc6S-(1->4)-D-GlcA (GlcA)2 (GlcNAc)1 (S)1 beta-D-GlcpA-(1->4)-alpha-D-GlcpNAc6S-(1->4)-D-GlcpA beta-D-glucopyranuronosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranosyl-(1->4)-D-glucopyranuronic acid beta-D-glucuronosyl-(1->4)-6-O-sulfo-N-acetyl-alpha-D-glucosaminyl-(1->4)-D-glucuronic acid
seed.compound:cpd21732 seedM:cpd21732	(GlcA)2(GlcNAc)1(S)1
seedM:M_cpd21732	secondary/obsolete/fantasy identifier