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4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate

PropertiesImage
MNX_IDMNXM2081 Image of MNXM2081
referencekeggC:C06118
formulaC12H16O12
global charge0
mol weight352.248
InChIKeyLLVVMXFNKAHVEZ-KMBKDFKYSA-N
InChIInChI=1S/C12H16O12/c13-2-1-3(9(17)18)22-12(4(2)14)24-7-5(15)6(16)11(21)23-8(7)10(19)20/h1-2,4-8,11-16,21H,(H,17,18)(H,19,20)/t2-,4+,5+,6+,7+,8-,11+,12+/m0/s1
SMILESO=C(O)C1=C[C@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2C(=O)O)O1
MNX internals
InChI (mnx)InChI=1/C12H16O12/c13-2-1-3(9(17)18)22-12(4(2)14)24-7-5(15)6(16)11(21)23-8(7)10(19)20/h1-2,4-8,11-16,21H,(H,17,18)(H,19,20)/t2-,4+,5+,6+,7+,8-,11+,12+/m0/s1 Image of MNXM2081
SMILES (mnx)[CH:1]1=[C:3]([C:9](=[O:17])[OH:18])[O:22][C@H:12]([O:24][C@@H:7]2[C@H:5]([OH:15])[C@@H:6]([OH:16])[C@H:11]([OH:21])[O:23][C@@H:8]2[C:10](=[O:19])[OH:20])[C@H:4]([OH:14])[C@H:2]1[OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

kegg.compound:C06118
keggC:C06118
LLVVMXFNKAHVEZ-KMBKDFKYSA-N 		4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate
4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate
Unsaturated digalacturonate

vmhM:4dadg4edgalur
vmhmetabolite:4dadg4edgalur
LLVVMXFNKAHVEZ-GAWNPARCSA-N 		4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate

vmhM:unsdigalur
vmhmetabolite:unsdigalur
LLVVMXFNKAHVEZ-GAWNPARCSA-N 		4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate, Unsaturated digalacturonate

seed.compound:cpd03648
seedM:cpd03648
LLVVMXFNKAHVEZ-GAWNPARCSA-L 		4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate
4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate
4-(4-deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate
4-(4-deoxy-alpha-D-gluc-4-enosyluronic acid)-D-galacturonic acid
4-(4-deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate
4-O-(4-deoxy-beta-L-threo-hex-4-enopyranosyluronic acid)-D-galactopyranuronic acid
Unsaturated digalacturonate
unsaturated digalacturonate

CHEBI:60189
chebi:60189
LLVVMXFNKAHVEZ-GAWNPARCSA-L 		4-(4-deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate
4-(4-deoxy-alpha-D-galact-4-enosyluronic acid)-D-galacturonate dianion
4-(4-deoxy-alpha-D-galact-4-enosyluronic acid)-D-galacturonate(2-)
4-(4-deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate dianion
4-(4-deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate(2-)
4-(4-deoxy-alpha-D-gluc-4-enosyluronic acid)-D-galacturonate dianion
4-(4-deoxy-alpha-D-gluc-4-enosyluronic acid)-D-galacturonate(2-)
4-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-D-galactopyranuronate

metacyc.compound:CPD-11241
metacycM:CPD-11241
LLVVMXFNKAHVEZ-GAWNPARCSA-L 		4-(4-deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate
4-(4-deoxy-alpha-D-gluc-4-enosyluronic acid)-D-galacturonic acid
4-(4-deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate
4-(4-deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate
4-(4-deoxy-beta-D-gluc-4-enuronosyl)-galacturonate
4-O-(4-deoxy-beta-L-threo-hex-4-enopyranosyluronic acid)-D-galactopyranuronic acid
unsaturated digalacturonate

CHEBI:27450
chebi:27450
LLVVMXFNKAHVEZ-GAWNPARCSA-N 		4-(4-deoxy-alpha-D-gluc-4-enosyluronic acid)-D-galacturonic acid
4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate
4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate
4-(4-deoxy-alpha-D-galact-4-enosyluronic acid)-D-galacturonic acid
4-O-(4-deoxy-beta-L-threo-hex-4-enopyranosyluronic acid)-D-galactopyranuronic acid
Unsaturated digalacturonate

kegg.glycan:G10113
keggG:G10113 		G10113

chebi:1767
chebi:1769
chebi:20289
chebi:20290
chebi:28551
keggC:M_C06118
keggG:M_G10113
seedM:M_cpd03648
vmhM:M_4dadg4edgalur
vmhM:M_unsdigalur 		secondary/obsolete/fantasy identifier