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beta-cellobiose

PropertiesImage
MNX_IDMNXM726890 Image of MNXM726890
referencechebi:36217
formulaC12H22O11
global charge0
mol weight342.297
InChIKeyGUBGYTABKSRVRQ-QRZGKKJRSA-N
InChIInChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
SMILESOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1 Image of MNXM726890
SMILES (mnx)[CH2:1]([C@@H:3]1[C@@H:5]([OH:15])[C@H:6]([OH:16])[C@@H:9]([OH:19])[C@H:12]([O:23][C@@H:10]2[C@@H:4]([CH2:2][OH:14])[O:21][C@@H:11]([OH:20])[C@H:8]([OH:18])[C@H:7]2[OH:17])[O:22]1)[OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)31
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:36217
chebi:36217
GUBGYTABKSRVRQ-QRZGKKJRSA-N 		beta-cellobiose
1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose
4-O-beta-D-glucopyranosyl-beta-D-glucopyranose
CELLOBIOSE
Glcb1-4Glcb
Glcbeta1-4Glcbeta
beta-Cellobiose
beta-D-Glc-(1->4)-beta-D-Glc
beta-D-Glcp-(1->4)-beta-D-Glcp
beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
beta-D-glucosyl-(1->4)-beta-D-glucose
hmdb:HMDB0000055
GUBGYTABKSRVRQ-QRZGKKJRSA-N 		Cellobiose
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol
1-b-D-Glucopyranosyl-4-b-D-glucopyranose
1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose
1-beta-D-glucopyranosyl-4-beta-D-glucopyranose
4 O beta D Glucopyranosyl D glucopyranose
4-(b-D-Glucosido)-D-glucose
4-(b-delta-Glucosido)-delta-glucose
4-(beta-D-Glucosido)-D-glucose
4-(beta-delta-Glucosido)-delta-glucose
4-O-b-D-Glucopyranosyl-D-glucose
4-O-b-D-Glucopyranosyl-b-D-glucopyranose
4-O-beta-D-Glucopyranosyl-D-glucopyranose
4-O-beta-D-Glucopyranosyl-D-glucose
4-O-beta-D-Glucopyranosyl-beta-D-glucopyranose
4-O-beta-D-glucopyranosyl-beta-D-glucopyranose
4-O-beta-delta-Glucopyranosyl-delta-glucose
4-beta-D-Glucopyranosyl-D-glucopyranose
4-beta-delta-Glucopyranosyl-delta-glucopyranose
CELLOBIOSE
Cellose
D-(+)-Cellobiose
D-Cellobiose
D-Glucosyl-b-(1->4)-D-glucose
D-Glucosyl-beta-(1-4)-D-glucose
D-Glucosyl-beta-(1->4)-D-glucose
GLCB1-4GLCB
Glcbeta1-4glcbeta
b-Cellobiose
b-D-GLC-(1->4)-b-D-GLC
b-D-GLCP-(1->4)-b-D-GLCP
b-D-Glucosyl-(1->4)-b-D-glucose
beta-D-GLC-(1->4)-beta-D-GLC
beta-D-GLCP-(1->4)-beta-D-GLCP
beta-D-Glucosyl-(1->4)-beta-D-glucose
beta-D-glucosyl-(1->4)-beta-D-glucose
beta-cellobiose
delta-(+)-Cellobiose
delta-Cellobiose
delta-Glucosyl-beta-(1-4)-delta-glucose
delta-Glucosyl-beta-(1->4)-delta-glucose

sabiork.compound:1655
sabiorkM:1655
GUBGYTABKSRVRQ-QRZGKKJRSA-N 		Cellobiose
1-beta-D-Glucopyranosyl-4-D-glucopyranose

vmhM:cellul
vmhmetabolite:cellul
GUBGYTABKSRVRQ-QRZGKKJRSA-N 		Cellulose, chain length 500 glc_D assumed, DOI: 10.1002/anie.200460587
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol

sabiork.compound:102
sabiorkM:102
kegg.compound:C06422
keggC:C06422
GUBGYTABKSRVRQ-QRZGKKJRSA-N 		beta-Cellobiose
1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose

seed.compound:cpd03845
seedM:cpd03845
GUBGYTABKSRVRQ-QRZGKKJRSA-N 		beta-Cellobiose
1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose
4-O-beta-D-glucopyranosyl-beta-D-glucopyranose
4-beta-D-glucopyranosyl-D-glucopyranose
D-(+)-Cellobiose
D-Cellobiose
D-cellobiose
beta-D-cellobiose
beta-D-glucosyl-(1->4)-beta-D-glucose
cellobiose

metacyc.compound:CELLOBIOSE
metacycM:CELLOBIOSE
GUBGYTABKSRVRQ-QRZGKKJRSA-N 		beta-D-cellobiose
4-O-beta-D-glucopyranosyl-beta-D-glucopyranose
beta-D-glucosyl-(1->4)-beta-D-glucose

vmhM:cellb
vmhmetabolite:cellb
GUBGYTABKSRVRQ-QRZGKKJRSA-N 		cellobiose
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol

hmdb:HMDB00055
chebi:10358
chebi:22836
chebi:35462
chebi:41353
keggC:M_C06422
seedM:M_cpd03845
vmhM:M_cellb
vmhM:M_cellul 		secondary/obsolete/fantasy identifier