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CHEBI:36231 - α-allolactose

ChEBI IDCHEBI:36231
ChEBI Nameα-allolactose
Stars
ASCII Namealpha-allolactose
DefinitionThe α-stereoisomer of allolactose.
Last Modified7 April 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC12H22O11
Net Charge0
Average Mass342.297
Monoisotopic Mass342.11621
SMILESOC[C@H]1O[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1a_1-5][a2112h-1b_1-5]/1-2/a6-b1
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
InChIKeyDLRVVLDZNNYCBX-HPMVBDDHSA-N
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
α-allolactose (CHEBI:36231) is a allolactose (CHEBI:36229)
Incoming Relation(s)
β-D-Galp-(1→6)-α-D-Glcp-(1→1)-α-D-Glcp (CHEBI:149149) has functional parent α-allolactose (CHEBI:36231)
IUPAC Name 
β-D-galactopyranosyl-(1→6)-α-D-glucopyranose
Synonyms  Source
6-O-β-D-galactopyranosyl-α-D-glucopyranoseIUPAC
β-D-Galp-(1→6)-α-D-GlcpIUPAC
Manual XrefsDatabases
G49736TEGlyTouCan
G49736TEGlyGen