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3-Ketolactose

MNXM36578 is deprecated and here replaced by MNXM1104439
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104439

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	4

formula

C₁₂H₂₀O₁₁

charge

mass

340.10056

reference

InChIKey

HKKHTABTHSUDBP-ILXILVFVSA-N

InChI

InChI=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

SMILES

O=C1[C@@H](O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:HC01446 biggM:HC01446 kegg.compound:C05403 keggC:C05403	3-Ketolactose
hmdb:HMDB0001030	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
hmdb:HMDB01030 biggM:M_HC01446 keggC:M_C05403	secondary/obsolete/fantasy identifier