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4-deoxy-beta-D-gluc-4-enuronosyl-(1->3)-N-acetyl-D-galactosamine 4-sulfate

MNXM2467 is deprecated and here replaced by MNXM1107049
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107049 Image of MNXM1107049
referencechebi:83963
formulaC14H19NO14S
global charge-2
mol weight457.366
InChIKeyBWBRFVRXCBBDEH-ZTVLJYEESA-L
InChIInChI=1S/C14H21NO14S/c1-4(17)15-8-11(10(29-30(23,24)25)7(3-16)26-13(8)22)28-14-9(19)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]1C(O)O[C@H](CO)[C@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C14H21NO14S/c1-4(17)15-8-11(10(29-30(23,24)25)7(3-16)26-13(8)22)28-14-9(19)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 MNXM1107049
SMILES (mnx)[CH3:1][C:4](=[N:15][C@@H:8]1[C@@H:11]([O:28][C@H:14]2[C@H:9]([OH:19])[C@@H:5]([OH:18])[CH:2]=[C:6]([C:12](=[O:20])[OH:21])[O:27]2)[C@@H:10]([O:29][S:30]([OH:23])(=[O:24])=[O:25])[C@@H:7]([CH2:3][OH:16])[O:26][CH:13]1[OH:22])[OH:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:83963
chebi:83963
BWBRFVRXCBBDEH-ZTVLJYEESA-L 		4-deoxy-beta-D-gluc-4-enuronosyl-(1->3)-N-acetyl-D-galactosamine 4-sulfate
2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-D-galactopyranose(2-)
2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-4-O-sulfonato-D-galactopyranose

CHEBI:15931
chebi:15931
BWBRFVRXCBBDEH-ZTVLJYEESA-N 		2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-4-O-sulfo-D-galactopyranose
2-acetamido-2-deoxy-4-O-sulfo-D-galactopyranos-3-O-yl 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid
4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 4-sulfate

sabiork.compound:7630
sabiorkM:7630
kegg.compound:C04864
keggC:C04864
BWBRFVRXCBBDEH-ZTVLJYEESA-N 		4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 4-sulfate

seed.compound:cpd02956
seedM:cpd02956
BWBRFVRXCBBDEH-ZTVLJYEESA-L 		4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 4-sulfate
4-deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 4-sulfate
beta-D-4-deoxy-delta4-GlcAp-(1->3)-beta-D-GalNAc4S

metacyc.compound:CPD-12563
metacycM:CPD-12563
BWBRFVRXCBBDEH-ZTVLJYEESA-L 		4-deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 4-sulfate
beta-D-4-deoxy-Delta4-GlcAp-(1->3)-beta-D-GalNAc4S

chebi:11983
chebi:1824
chebi:20359
keggC:M_C04864
seedM:M_cpd02956 		secondary/obsolete/fantasy identifier