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

MNXM1713 is deprecated and here replaced by MNXM731604
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731604 Image of MNXM731604
referencechebi:63263
formulaC14H20NO11
global charge-1
mol weight378.31
InChIKeyDLGJWSVWTWEWBJ-MUODBDBBSA-M
InChIInChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/p-1/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](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10-,11+,13+,14-/m0/s1 Image of MNXM731604
SMILES (mnx)[CH3:1][C:4](=[N:15][C@@H:8]1[C@@H:11]([O:26][C@H:14]2[C@H:9]([OH:19])[C@@H:5]([OH:18])[CH:2]=[C:6]([C:12](=[O:21])[OH:22])[O:25]2)[C@@H:10]([OH:20])[C@@H:7]([CH2:3][OH:16])[O:24][C@H:13]1[OH:23])[OH:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63263
chebi:63263
DLGJWSVWTWEWBJ-MUODBDBBSA-M 		beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc
beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc(1-)

kegg.compound:C01310
keggC:C01310
vmhM:M00038
vmhmetabolite:M00038
DLGJWSVWTWEWBJ-ZTVLJYEESA-N 		4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine

seed.compound:cpd00958
seedM:cpd00958
DLGJWSVWTWEWBJ-ZTVLJYEESA-M 		4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine
3-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-galactose
3-(4-deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-galactosamine
4-deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine
4-deoxy-delta4,5-beta-D-GlcAp-(1->3)-beta-D-GalNAc
beta-D-4-deoxy-delta4,5-GlcAp-(1->3)-beta-D-GalNAc
chondroitin disaccharide (unsulfated)

metacyc.compound:CPD-36
metacycM:CPD-36
DLGJWSVWTWEWBJ-ZTVLJYEESA-M 		4-deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine
3-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-galactose
3-(4-deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-galactosamine
4-deoxy-Delta4,5-beta-D-GlcAp-(1->3)-beta-D-GalNAc
chondroitin disaccharide (unsulfated)

CHEBI:57850
chebi:57850
DLGJWSVWTWEWBJ-ZTVLJYEESA-M 		4-deoxy-beta-D-gluc-4-enuronosyl-(1->3)-N-acetyl-D-galactosamine
2-acetamido-2-deoxy-D-galactopyranos-3-O-yl 4-deoxy-alpha-L-threo-hex-4-enopyranuronate
3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-D-galactosamine anion
3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-D-galactosamine(1-)

CHEBI:16655
chebi:16655
DLGJWSVWTWEWBJ-ZTVLJYEESA-N 		N-acetyl-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-D-galactosamine
2-acetamido-2-deoxy-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-deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine

CHEBI:46280
chebi:46280
DLGJWSVWTWEWBJ-MUODBDBBSA-N 		beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc
(4S,5R,6R)-6-((2R,3R,4R,5R,6R)-3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5-DIHYDROXY-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID
2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-beta-D-galactopyranose
beta-D-4-deoxy-Delta(4)-GlcA-(1->3)-beta-D-GalNAc

chebi:11982
chebi:1823
chebi:20358
keggC:M_C01310
seedM:M_cpd00958
vmhM:M_M00038 		secondary/obsolete/fantasy identifier