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

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selaginose

	Properties	Image
MNX_ID	MNXM149192
reference	chebi:146848
formula	C₁₈H₃₂O₁₆
global charge	0
mol weight	504.438
InChIKey	ZZQBFMYCMRVZFG-CFCQXFMMSA-N
InChI	InChI=1S/C18H32O16/c19-1-4-7(22)10(25)13(28)16(30-4)33-15-12(27)9(24)6(3-21)32-18(15)34-17-14(29)11(26)8(23)5(2-20)31-17/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13-,14-,15-,16-,17-,18-/m1/s1
SMILES	OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C18H32O16/c19-1-4-7(22)10(25)13(28)16(30-4)33-15-12(27)9(24)6(3-21)32-18(15)34-17-14(29)11(26)8(23)5(2-20)31-17/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13-,14-,15-,16-,17-,18-/m1/s1
SMILES (mnx)	[CH2:1]([C@@H:4]1[C@@H:7]([OH:22])[C@H:10]([OH:25])[C@@H:13]([OH:28])[C@@H:16]([O:33][C@@H:15]2[C@@H:12]([OH:27])[C@H:9]([OH:24])[C@@H:6]([CH2:3][OH:21])[O:32][C@@H:18]2[O:34][C@@H:17]2[C@H:14]([OH:29])[C@@H:11]([OH:26])[C@H:8]([OH:23])[C@@H:5]([CH2:2][OH:20])[O:31]2)[O:30]1)[OH:19]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:146848 chebi:146848 ZZQBFMYCMRVZFG-CFCQXFMMSA-N	selaginose Glc(a1-2)Glc(a1-1a)Glc O-alpha-D-glucopyranosyl-(1->2)-alpha-D-glucopyranosyl-alpha-D-glucopyranoside WURCS=2.0/1,3,2/[a2122h-1a_1-5]/1-1-1/a1-b1_b2-c1 alpha-D-Glcp-(1->2)-alpha-D-Glcp-(1->1)-alpha-D-Glcp alpha-D-gluco-hexopyranosyl alpha-D-gluco-hexopyranosyl-(1->2)-alpha-D-gluco-hexopyranoside alpha-D-glucopyranosyl alpha-D-glucopyranosyl-(1->2)-alpha-D-glucopyranoside
seed.compound:cpd33600 seedM:cpd33600 ZZQBFMYCMRVZFG-CFCQXFMMSA-N	2-O-alpha-D-glucosyl trehalose O-alpha-D-glucopyranosyl-(1<->2)-alpha-D-glucopyranosyl-alpha-D-glucopyranoside selaginose
metacyc.compound:CPD-16572 metacycM:CPD-16572 ZZQBFMYCMRVZFG-CFCQXFMMSA-N	selaginose 2-O-alpha-D-glucosyl trehalose O-alpha-D-glucopyranosyl-(1<->2)-alpha-D-glucopyranosyl-alpha-D-glucopyranoside
seedM:M_cpd33600	secondary/obsolete/fantasy identifier