MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

melibiose

	Properties	Image
MNX_ID	MNXM1103965
reference	chebi:28053
formula	C₁₂H₂₂O₁₁
global charge	0
mol weight	342.297
InChIKey	DLRVVLDZNNYCBX-ABXHMFFYSA-N
InChI	InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+/m1/s1
SMILES	OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+/m1/s1
SMILES (mnx)	[CH2:1]([C@@H:3]1[C@H:5]([OH:14])[C@H:8]([OH:17])[C@@H:10]([OH:19])[C@@H:12]([O:21][CH2:2][C@@H:4]2[C@@H:6]([OH:15])[C@H:7]([OH:16])[C@@H:9]([OH:18])[CH:11]([OH:20])[O:22]2)[O:23]1)[OH:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	25
in models (compartimentalized)	9

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28053 chebi:28053 DLRVVLDZNNYCBX-ABXHMFFYSA-N	melibiose (Gal)1 (Glc)1 6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose 6-O-alpha-D-galactopyranosyl-D-glucopyranose D-Melibiose D-mellibiose Gal-alpha(1,6)Glc Melibiose WURCS=2.0/2,2,1/[a2122h-1x_1-5][a2112h-1a_1-5]/1-2/a6-b1 alpha-D-Gal-(1->6)-D-Glc alpha-D-Galp-(1->6)-D-Glcp alpha-D-galactopyranosyl-(1->6)-D-glucopyranose alpha-D-galactosyl-(1->6)-D-glucose
bigg.metabolite:6dg biggM:6dg DLRVVLDZNNYCBX-ABXHMFFYSA-N	D Gal alpha 1 6D Glucose
kegg.glycan:G01275 keggG:G01275 DLRVVLDZNNYCBX-ABXHMFFYSA-N	Melibiose
seed.compound:cpd03198 seedM:cpd03198 DLRVVLDZNNYCBX-ABXHMFFYSA-N	Melibiose 6-(alpha-D-galactosido)-D-glucose 6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose 6-O-(alpha-D-galactopyranosyl)-D-glucopyranose 6-O-alpha-D-Galactopyranosyl-D-glucose 6-O-alpha-D-galactopyranosyl-D-glucose D-Gal-alpha(1->6)-D-glucose D-Gal-alpha-1->6D-Glucose D-Gal-alpha1->6D-Glucose D-melibiose D-mellibiose alpha-D-Galp-(1->6)-D-Glc melib melibiose
sabiork.compound:2789 sabiorkM:2789 kegg.compound:C05402 keggC:C05402 DLRVVLDZNNYCBX-ABXHMFFYSA-N	Melibiose 6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose D-Gal-alpha1->6D-Glucose
seed.compound:cpd29840 seedM:cpd29840 DLRVVLDZNNYCBX-ABXHMFFYSA-N	Melibiose alpha-D-galactoside galactohydrolase
metacyc.compound:MELIBIOSE metacycM:MELIBIOSE DLRVVLDZNNYCBX-ABXHMFFYSA-N	melibiose 6-(alpha-D-galactosido)-D-glucose 6-O-(alpha-D-galactopyranosyl)-D-glucopyranose 6-O-alpha-D-galactopyranosyl-D-glucose D-Gal-alpha(1->6)-D-glucose D-melibiose alpha-D-Galp-(1->6)-D-Glc
chebi:20943 chebi:25182 chebi:60170 chebi:6733 biggM:M_6dg keggC:M_C05402 keggG:M_G01275 seedM:M_cpd03198 seedM:M_cpd29840	secondary/obsolete/fantasy identifier