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

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2-alpha-D-glucosyl-D-glucose

	Properties	Image
MNX_ID	MNXM736547
reference	chebi:33020
formula	C₁₂H₂₂O₁₁
global charge	0
mol weight	342.297
InChIKey	PZDOWFGHCNHPQD-OQPGPFOOSA-N
InChI	InChI=1S/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2,4-13,15-21H,1,3H2/t4-,5+,6-,7-,8-,9-,10+,11-,12+/m1/s1
SMILES	O=C[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H](O)CO

MNX internals

InChI (mnx)	InChI=1/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2,4-13,15-21H,1,3H2/t4-,5+,6-,7-,8-,9-,10+,11-,12+/m1/s1
SMILES (mnx)	[CH2:1]([C@H:4]([C@H:7]([C@@H:8]([C@H:5]([CH:2]=[O:14])[O:22][C@@H:12]1[C@H:11]([OH:21])[C@@H:10]([OH:20])[C@H:9]([OH:19])[C@@H:6]([CH2:3][OH:15])[O:23]1)[OH:18])[OH:17])[OH:16])[OH:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:33020 chebi:33020 PZDOWFGHCNHPQD-OQPGPFOOSA-N	2-alpha-D-glucosyl-D-glucose 2-O-alpha-D-Glucopyranosyl-D-glucose 2-O-alpha-D-glucopyranosyl-D-glucose alpha-D-glucopyranosyl-(1->2)-D-glucose kojibiose
sabiork.compound:26998 sabiorkM:26998 PZDOWFGHCNHPQD-OQPGPFOOSA-N	Kojibiose
hmdb:HMDB0011742 PZDOWFGHCNHPQD-OQPGPFOOSA-N	Kojibiose (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal 2-O-a-D-Glucopyranosyl-D-glucose 2-O-alpha-D-Glucopyranosyl-D-glucose 2-O-alpha-D-glucopyranosyl-D-glucose 2-a-D-Glucosyl-D-glucose 2-alpha-D-Glucosyl-D-glucose 2-alpha-D-glucosyl-D-glucose alpha-D-Glucopyranosyl-(1->2)-D-glucose kojibiose
kegg.compound:C19632 keggC:C19632 PZDOWFGHCNHPQD-OQPGPFOOSA-N	Kojibiose 2-O-alpha-D-Glucopyranosyl-D-glucose
seed.compound:cpd20881 seedM:cpd20881 PZDOWFGHCNHPQD-OQPGPFOOSA-N	Kojibiose 2-O-alpha-D-Glucopyranosyl-D-glucose a-Kojibiosyldiglyceride
hmdb:HMDB11742 chebi:11480 chebi:30995 chebi:58653 keggC:M_C19632 seedM:M_cpd20881	secondary/obsolete/fantasy identifier