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beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc6S

MNXM2468 is deprecated and here replaced by MNXM732979
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732979 Image of MNXM732979
referencechebi:63267
formulaC14H19NO14S
global charge-2
mol weight457.366
InChIKeyBUJZTFINDCQRGP-MUODBDBBSA-L
InChIInChI=1S/C14H21NO14S/c1-4(16)15-8-11(10(19)7(27-13(8)22)3-26-30(23,24)25)29-14-9(18)5(17)2-6(28-14)12(20)21/h2,5,7-11,13-14,17-19,22H,3H2,1H3,(H,15,16)(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]2O)[C@@H](O)[C@@H](COS(=O)(=O)[O-])O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C14H21NO14S/c1-4(16)15-8-11(10(19)7(27-13(8)22)3-26-30(23,24)25)29-14-9(18)5(17)2-6(28-14)12(20)21/h2,5,7-11,13-14,17-19,22H,3H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)/t5-,7+,8+,9+,10-,11+,13+,14-/m0/s1 Image of MNXM732979
SMILES (mnx)[CH3:1][C:4](=[N:15][C@@H:8]1[C@@H:11]([O:29][C@H:14]2[C@H:9]([OH:18])[C@@H:5]([OH:17])[CH:2]=[C:6]([C:12](=[O:20])[OH:21])[O:28]2)[C@@H:10]([OH:19])[C@@H:7]([CH2:3][O:26][S:30]([OH:23])(=[O:24])=[O:25])[O:27][C@H:13]1[OH:22])[OH:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63267
chebi:63267
BUJZTFINDCQRGP-MUODBDBBSA-L 		beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc6S
2-acetamido-2-deoxy-6-O-sulfonato-beta-D-galactopyranos-3-O-yl 4-deoxy-alpha-L-threo-hex-4-enopyranuronate
beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc6S(2-)

CHEBI:16735
chebi:16735
BUJZTFINDCQRGP-ZTVLJYEESA-N 		2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-glucopyranose
2-acetamido-2-deoxy-6-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 6-sulfate
4-deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 6-sulfate

sabiork.compound:7631
sabiorkM:7631
vmhM:M00037
vmhmetabolite:M00037
BUJZTFINDCQRGP-ZTVLJYEESA-N 		4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 6-sulfate

seed.compound:cpd02957
seedM:cpd02957
BUJZTFINDCQRGP-ZTVLJYEESA-L 		4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 6-sulfate
4-deoxy-beta-D-delta4-GlcAp-(1->3)-D-GalNAc6S
4-deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl--D-galactosamine 6-sulfate
4-deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 6-sulfate
beta-D-4-deoxy-delta4-GlcAp-(1->3)-beta-D-GalNAc6S

kegg.compound:C04865
keggC:C04865
BUJZTFINDCQRGP-ZTVLJYEESA-N 		4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 6-sulfate
beta-D-4-Deoxy-Delta4-GlcAp-(1->3)-D-GalNAc6S

CHEBI:63266
chebi:63266
BUJZTFINDCQRGP-MUODBDBBSA-N 		4-deoxy-Delta(4)-beta-D-GlcpA-(1->3)-beta-D-GalpNAc6S
2-(acetylamino)-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-6-O-sulfo-beta-D-galactopyranose
2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-6-O-sulfo-beta-D-galactopyranose
2-acetamido-2-deoxy-3-O-(alpha-L-threo-hex-4-enopyranosyluronic acid)-beta-D-galactose 6-sulfate ester
beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc6S

metacyc.compound:4-DEOXY-BETA-D-GLUC-4-ENURONOSYL-6S
metacycM:4-DEOXY-BETA-D-GLUC-4-ENURONOSYL-6S
BUJZTFINDCQRGP-ZTVLJYEESA-L 		4-deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl--D-galactosamine 6-sulfate
4-deoxy-beta-D-Delta4-GlcAp-(1->3)-D-GalNAc6S

CHEBI:57878
chebi:57878
BUJZTFINDCQRGP-ZTVLJYEESA-L 		4-deoxy-beta-D-gluc-4-enuronosyl-(1->3)-N-acetyl-D-galactosamine 6-sulfate
2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2-)
2-acetamido-2-deoxy-6-O-sulfonato-D-galactopyranos-3-O-yl 4-deoxy-alpha-L-threo-hex-4-enopyranuronate

chebi:11984
chebi:1825
chebi:20360
keggC:M_C04865
seedM:M_cpd02957
vmhM:M_M00037 		secondary/obsolete/fantasy identifier