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allolactose

PropertiesImage
MNX_IDMNXM1108189 Image of MNXM1108189
referencechebi:36229
formulaC12H22O11
global charge0
mol weight342.297
InChIKeyDLRVVLDZNNYCBX-VDGMBKLFSA-N
InChIInChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12-/m1/s1
SMILESOC[C@H]1O[C@@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12-/m1/s1 Image of MNXM1108189
SMILES (mnx)[CH2:1]([C@@H:3]1[C@H:5]([OH:14])[C@H:8]([OH:17])[C@@H:10]([OH:19])[C@H:12]([O:21][CH2:2][C@@H:4]2[C@@H:6]([OH:15])[C@H:7]([OH:16])[C@@H:9]([OH:18])[CH:11]([OH:20])[O:22]2)[O:23]1)[OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:36229
chebi:36229
DLRVVLDZNNYCBX-VDGMBKLFSA-N 		allolactose
6-O-beta-D-galactopyranosyl-D-glucopyranose
Gal(b1-6)Glc
WURCS=2.0/2,2,1/[a2122h-1x_1-5][a2112h-1b_1-5]/1-2/a6-b1
beta-D-Galp-(1->6)-D-Glcp
beta-D-galacto-hexopyranosyl-(1->6)-D-gluco-hexopyranose
beta-D-galactopyranosyl-(1->6)-D-glucopyranose

sabiork.compound:1382
sabiorkM:1382
DLRVVLDZNNYCBX-VDGMBKLFSA-N 		Allolactose

metacyc.compound:ALLOLACTOSE
metacycM:ALLOLACTOSE
seed.compound:cpd22252
seedM:cpd22252
DLRVVLDZNNYCBX-VDGMBKLFSA-N 		allolactose
beta-D-galactopyranosyl-(1->6)-D-glucopyranose

seedM:M_cpd22252 		secondary/obsolete/fantasy identifier