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4-deoxy-beta-D-gluc-4-enuronosyl-(1,4)-N-acetyl-D-galactosamine

Properties

Image

Occurences in reactions

MNX_ID

MNXM148658

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₄H₂₀NO₁₁

charge

-1

mass

378.10418

reference

metacycM:CPD-17755

InChIKey

URUDPLVSVSVLMS-SQXQUMBFSA-M

InChI

InChI=1S/C14H21NO11/c1-4(17)15-8-10(20)11(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

SMILES

CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O[C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@H]2O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-17755 metacycM:CPD-17755	4-deoxy-beta-D-gluc-4-enuronosyl-(1,4)-N-acetyl-D-galactosamine 4-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-galactose 4-(4-deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-galactosamine 4-deoxy-Delta4,5-beta-D-GlcAp-(1->4)-beta-D-GalNAc
seed.compound:cpd34166 seedM:cpd34166	4-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-galactose 4-(4-deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-galactosamine 4-deoxy-beta-D-gluc-4-enuronosyl-(1,4)-N-acetyl-D-galactosamine 4-deoxy-delta4,5-beta-D-GlcAp-(1->4)-beta-D-GalNAc
seedM:M_cpd34166	secondary/obsolete/fantasy identifier