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

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verbascose

	Properties	Image
MNX_ID	MNXM7880
reference	chebi:28586
formula	C₃₀H₅₂O₂₆
global charge	0
mol weight	828.72
InChIKey	FLUADVWHMHPUCG-SWPIJASHSA-N
InChI	InChI=1S/C30H52O26/c31-1-7-12(34)17(39)21(43)26(51-7)48-3-9-13(35)18(40)22(44)27(52-9)49-4-10-14(36)19(41)23(45)28(53-10)50-5-11-15(37)20(42)24(46)29(54-11)56-30(6-33)25(47)16(38)8(2-32)55-30/h7-29,31-47H,1-6H2/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16-,17+,18+,19+,20+,21-,22-,23-,24-,25+,26+,27+,28+,29-,30+/m1/s1
SMILES	OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](OC[C@H]4O[C@H](O[C@]5(CO)O[C@H](CO)[C@@H](O)[C@@H]5O)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C30H52O26/c31-1-7-12(34)17(39)21(43)26(51-7)48-3-9-13(35)18(40)22(44)27(52-9)49-4-10-14(36)19(41)23(45)28(53-10)50-5-11-15(37)20(42)24(46)29(54-11)56-30(6-33)25(47)16(38)8(2-32)55-30/h7-29,31-47H,1-6H2/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16-,17+,18+,19+,20+,21-,22-,23-,24-,25+,26+,27+,28+,29-,30+/m1/s1
SMILES (mnx)	[CH2:1]([C@@H:7]1[C@H:12]([OH:34])[C@H:17]([OH:39])[C@@H:21]([OH:43])[C@@H:26]([O:48][CH2:3][C@@H:9]2[C@H:13]([OH:35])[C@H:18]([OH:40])[C@@H:22]([OH:44])[C@@H:27]([O:49][CH2:4][C@@H:10]3[C@H:14]([OH:36])[C@H:19]([OH:41])[C@@H:23]([OH:45])[C@@H:28]([O:50][CH2:5][C@@H:11]4[C@@H:15]([OH:37])[C@H:20]([OH:42])[C@@H:24]([OH:46])[C@@H:29]([O:56][C@@:30]5([CH2:6][OH:33])[C@@H:25]([OH:47])[C@H:16]([OH:38])[C@@H:8]([CH2:2][OH:32])[O:55]5)[O:54]4)[O:53]3)[O:52]2)[O:51]1)[OH:31]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28586 chebi:28586 FLUADVWHMHPUCG-SWPIJASHSA-N	verbascose D-verbascose beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside
kegg.glycan:G00564 keggG:G00564	Verbascose
seed.compound:cpd05170 seedM:cpd05170 FLUADVWHMHPUCG-SWPIJASHSA-N	Verbascose alpha-D-Galp-(1->6)-alpha-D-Galp-(1-6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1->2)-beta-D-Fruf beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O- alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside verbascose
kegg.compound:C08252 keggC:C08252 FLUADVWHMHPUCG-SWPIJASHSA-N	Verbascose beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside
metacyc.compound:CPD-8065 metacycM:CPD-8065 FLUADVWHMHPUCG-SWPIJASHSA-N	verbascose alpha-D-Galp-(1->6)-alpha-D-Galp-(1-6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1->2)-beta-D-Fruf
chebi:10371 chebi:22764 keggC:M_C08252 keggG:M_G00564 seedM:M_cpd05170	secondary/obsolete/fantasy identifier