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

PropertiesImage
MNX_IDMNXM6876 Image of MNXM6876
referencechebi:63274
formulaC14H19NO14S
global charge-2
mol weight457.366
InChIKeyZEUCJYOQJTZLFJ-RBCDGZSOSA-L
InChIInChI=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
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@@H](O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/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)/t5-,7+,8+,9-,10+,11+,13+,14-/m0/s1 Image of MNXM6876
SMILES (mnx)[CH3:1][C:4](=[N:15][C@@H:8]1[C@@H:11]([O:28][C@H:14]2[C@H:10]([O:29][S:30]([OH:23])(=[O:24])=[O:25])[C@@H:5]([OH:18])[CH:2]=[C:6]([C:12](=[O:20])[OH:21])[O:27]2)[C@@H:9]([OH:19])[C@@H:7]([CH2:3][OH:16])[O:26][C@H:13]1[OH:22])[OH:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63274
chebi:63274
ZEUCJYOQJTZLFJ-RBCDGZSOSA-L 		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
ZEUCJYOQJTZLFJ-RBCDGZSOSA-L 		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
ZEUCJYOQJTZLFJ-RBCDGZSOSA-N 		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
ZEUCJYOQJTZLFJ-RBCDGZSOSA-L 		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