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4-deoxy-Delta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc

Properties

Image

Occurences in reactions

MNX_ID

MNXM6876

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

formula

C₁₄H₁₉NO₁₄S

charge

-2

mass

457.05372

reference

chebi:63274

InChIKey

ZEUCJYOQJTZLFJ-RBCDGZSOSA-L

InChI

InChI=1S/C14H21NO14S/c1-4(17)15-8-11(9(19)7(3-16)26-13(8)22)28-14-10(29-30(23,24)25)5(18)2-6(27-14)12(20)21/h2,5,7-11,13-14,16,18-19,22H,3H2,1H3,(H,15,17)(H,20,21)(H,23,24,25)/p-2/t5-,7+,8+,9-,10+,11+,13+,14-/m0/s1

SMILES

CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@H]1OS(=O)(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63274 chebi:63274	4-deoxy-Delta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc 2-(acetylamino)-2-deoxy-3-O-(4-deoxy-2-O-sulfonato-alpha-L-threo-hex-4-enopyranuronosyl)-beta-D-galactopyranose 2-acetamido-2-deoxy-3-O-(4-deoxy-2-O-sulfonato-alpha-L-threo-hex-4-enopyranuronosyl)-beta-D-galactopyranose 4-deoxy-Delta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc(2-)
seed.compound:cpd23901 seedM:cpd23901	3-(4-deoxy-beta-D-gluc-4-enuronosyl)-2-O-sulfate-N-acetyl-D-galactosamine 4-deoxy-beta-D-gluc-4-enuronosyl-2-O-sulfate-(1,3)-N-acetyl-D-galactosamine 4-deoxy-beta-D-gluc-4-enuronosyl-2-sulfate-(1,3)-N-acetyl-beta-D-galactosamine 4-deoxy-delta4-beta-D-GlcAp2S-(1->3)-beta-D-GalNAc beta-D-4-deoxy-delta4-GlcAp2S-(1->3)-beta-D-GalNAc chondroitin disaccharide (2'S-monosulfated)
CHEBI:63271 chebi:63271	4-deoxy-Delta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc 2-(acetylamino)-2-deoxy-3-O-(4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronosyl)-beta-D-galactopyranose 2-acetamido-2-deoxy-3-O-(4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronosyl)-beta-D-galactopyranose
metacyc.compound:CPD-15035 metacycM:CPD-15035	4-deoxy-beta-D-gluc-4-enuronosyl-2-sulfate-(1,3)-N-acetyl-beta-D-galactosamine 3-(4-deoxy-beta-D-gluc-4-enuronosyl)-2-O-sulfate-N-acetyl-D-galactosamine 4-deoxy-Delta4-beta-D-GlcAp2S-(1->3)-beta-D-GalNAc 4-deoxy-beta-D-gluc-4-enuronosyl-2-O-sulfate-(1,3)-N-acetyl-D-galactosamine chondroitin disaccharide (2'S-monosulfated)
seedM:M_cpd23901	secondary/obsolete/fantasy identifier