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

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turanose

	Properties	Image
MNX_ID	MNXM1105981
reference	chebi:32528
formula	C₁₂H₂₂O₁₁
global charge	0
mol weight	342.297
InChIKey	RULSWEULPANCDV-PIXUTMIVSA-N
InChI	InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11-,12-/m1/s1
SMILES	O=C(CO)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CO

MNX internals

InChI (mnx)	InChI=1/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11-,12-/m1/s1
SMILES (mnx)	[CH2:1]([C@H:4]([C@H:7]([C@@H:11]([C:5]([CH2:2][OH:14])=[O:17])[O:23][C@@H:12]1[C@H:10]([OH:21])[C@@H:9]([OH:20])[C@H:8]([OH:19])[C@@H:6]([CH2:3][OH:15])[O:22]1)[OH:18])[OH:16])[OH:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32528 chebi:32528 RULSWEULPANCDV-PIXUTMIVSA-N	turanose 3-O-alpha-D-glucopyranosyl-D-fructose D-(+)-Turanose D-Turanose alpha-D-Glcp-(1->3)-D-Fru alpha-D-glucopyranosyl-(1->3)-D-fructose
vmhM:turan_D vmhmetabolite:turan_D RULSWEULPANCDV-PIXUTMIVSA-N	D-Turanose
hmdb:HMDB0011740 RULSWEULPANCDV-PIXUTMIVSA-N	Turanose (3S,4R,5R)-1,4,5,6-tetrahydroxy-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-one 3-O-Hexopyranosylhex-2-ulose 3-O-a-D-Glucopyranosyl-D-fructose 3-O-alpha-D-Glucopyranosyl-D-fructose 3-O-alpha-D-glucopyranosyl-D-fructose D-(+)-Turanose D-Turanose a-D-GLCP-(1->3)-D-fru alpha-D-GLCP-(1->3)-D-fru turanose
sabiork.compound:26849 sabiorkM:26849 RULSWEULPANCDV-PIXUTMIVSA-N	Turanose 3-O-alpha-D-Glucopyranosyl-D-fructose
seed.compound:cpd20885 seedM:cpd20885 RULSWEULPANCDV-PIXUTMIVSA-N	Turanose 3-O-alpha-D-Glucopyranosyl-D-fructose 3-O-alpha-D-glucopyranosyl-D-fructose D-(+)-Turanose D-(+)-turanose D-Turanose D-turanose alpha-D-glucopyranose-(1->3)-beta-D-fructopyranose alpha-D-glucopyranosyl-(1->3)-D-fructose beta-turanose turanose
kegg.compound:C19636 keggC:C19636 RULSWEULPANCDV-PIXUTMIVSA-N	Turanose 3-O-alpha-D-Glucopyranosyl-D-fructose D-Turanose
metacyc.compound:CPD-13399 metacycM:CPD-13399 RULSWEULPANCDV-PIXUTMIVSA-N	turanose 3-O-alpha-D-glucopyranosyl-D-fructose D-(+)-turanose D-turanose alpha-D-glucopyranose-(1->3)-beta-D-fructose beta-turanose
hmdb:HMDB11740 keggC:M_C19636 seedM:M_cpd20885 vmhM:M_turan_D	secondary/obsolete/fantasy identifier