Search MNXref
 Feedback

3'-ketolactose

MNXM36578 is deprecated and here replaced by MNXM1104439
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104439 Image of MNXM1104439
referencechebi:27571
formulaC12H20O11
global charge0
mol weight340.281
InChIKeyHKKHTABTHSUDBP-WMIWJMKMSA-N
InChIInChI=1S/C12H20O11/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/h3-5,7-15,17-20H,1-2H2/t3-,4-,5+,7-,8-,9-,10-,11-,12+/m1/s1
SMILESO=C1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)O[C@H](CO)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C12H20O11/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/h3-5,7-15,17-20H,1-2H2/t3-,4-,5+,7-,8-,9-,10-,11-,12+/m1/s1 Image of MNXM1104439
SMILES (mnx)[CH2:1]([C@@H:3]1[C@H:5]([OH:15])[C:6](=[O: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)12
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:27571
chebi:27571
HKKHTABTHSUDBP-WMIWJMKMSA-N 		3'-ketolactose
3'-dehydro-beta-D-galactosyl-beta-D-glucopyranoside
3-ketolactose
4-O-beta-D-xylo-hexopyranosyl-3-ulose-beta-D-glucopyranose
hmdb:HMDB0001030
HKKHTABTHSUDBP-ILXILVFVSA-N 		3'-Ketolactose
(2R,3S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-one
3'-dehydro-beta-D-Galactosyl-beta-D-glucopyranoside
3'-dehydro-beta-delta-Galactosyl-beta-delta-glucopyranoside
3-ketolactose
4-O-(beta-D-xylo-Hexopyranosyl-3-ulose)-D-glucopyranose
4-O-beta-D-xylo-Hexopyranos-3-ulos-1-yl-D-glucose

metacyc.compound:3-KETOLACTOSE
metacycM:3-KETOLACTOSE
HKKHTABTHSUDBP-ILXILVFVSA-N 		3'-dehydrolactose
3'-ketolactose
3-dehydro-beta-D-galactosyl-beta-D-glucopyranoside

bigg.metabolite:HC01446
biggM:HC01446
kegg.compound:C05403
keggC:C05403
HKKHTABTHSUDBP-ILXILVFVSA-N 		3-Ketolactose

vmhM:HC01446
vmhmetabolite:HC01446
HKKHTABTHSUDBP-ILXILVFVSA-N 		3-Ketolactose
(2R,3S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-one

seed.compound:cpd03199
seedM:cpd03199
HKKHTABTHSUDBP-ILXILVFVSA-N 		3-Ketolactose
3'-dehydro-beta-D-galactosyl-beta-D-glucopyranoside
3'-ketolactose

hmdb:HMDB01030
chebi:1567
chebi:20097
biggM:M_HC01446
keggC:M_C05403
seedM:M_cpd03199
vmhM:M_HC01446 		secondary/obsolete/fantasy identifier