MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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maltitol

MNXM729859 is deprecated and here replaced by MNXM1371211
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1371211
reference	chebi:68428
formula	C₁₂H₂₄O₁₁
global charge	0
mol weight	344.313
InChIKey	VQHSOMBJVWLPSR-WUJBLJFYSA-N
InChI	InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1
SMILES	OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO

MNX internals

InChI (mnx)	InChI=1/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1
SMILES (mnx)	[CH2:1]([C@@H:4]([C@H:7]([C@@H:11]([C@@H:5]([CH2:2][OH:14])[OH:17])[O:23][C@@H:12]1[C@H:10]([OH:21])[C@@H:9]([OH:20])[C@H:8]([OH:19])[C@@H:6]([CH2:3][OH:15])[O:22]1)[OH:18])[OH:16])[OH:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:68428 chebi:68428 VQHSOMBJVWLPSR-WUJBLJFYSA-N	maltitol (2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}hexane-1,2,3,5,6-pentol 4-O-alpha-D-glucopyranosyl-D-glucitol D-Maltitol WURCS=2.0/2,2,1/[h2122h][a2122h-1a_1-5]/1-2/a4-b1 alpha-D-Glc-(1->4)-D-Glc-ol alpha-D-Glcp-(1->4)-D-Glc-ol alpha-D-glucopyranosyl-(1->4)-D-glucitol alpha-D-glucosyl-(1->4)-D-glucitol
seed.compound:cpd37280 seedM:cpd37280 VQHSOMBJVWLPSR-WUJBLJFYSA-N	4-O-alpha-D-glucopyranosyl-D-glucitol 4-O-beta-D-galactopyranosyl-D-glucitol Maltitol alpha-D-glucopyranosyl-(1->4)-D-glucitol lactitol lactitolum maltitol
kegg.drug:D04845 keggD:D04845 VQHSOMBJVWLPSR-WUJBLJFYSA-N	Maltitol (NF)
hmdb:HMDB0002928 VQHSOMBJVWLPSR-WUJBLJFYSA-N	Maltitol (2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,5,6-pentol (2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}hexane-1,2,3,5,6-pentol 4-O-a-D-Glucopyranosyl-D-glucitol 4-O-alpha-D-Glucopyranosyl-D-glucitol 4-O-alpha-D-glucopyranosyl-D-glucitol 4-O-alpha-delta-Glucopyranosyl-delta-glucitol Amalti syrup Amalty MR 100 D-4-O-alpha-D-Glucopyranosylglucitol D-Maltitol Malbit Malti MR Maltisorb Maltit WURCS=2.0/2,2,1/[H2122H][a2122h-1a_1-5]/1-2/a4-b1 a-D-GLC-(1->4)-D-GLC-ol a-D-GLCP-(1->4)-D-GLC-ol a-D-Glucosyl-(1->4)-D-glucitol alpha-D-GLC-(1->4)-D-GLC-ol alpha-D-GLCP-(1->4)-D-GLC-ol alpha-D-Glucosyl-(1->4)-D-glucitol alpha-D-glucosyl-(1->4)-D-glucitol delta-4-O-alpha-delta-Glucopyranosylglucitol delta-Maltitol maltitol
sabiork.compound:31550 sabiorkM:31550 VQHSOMBJVWLPSR-WUJBLJFYSA-N	Maltitol 4-O-alpha-D-Glucopyranosyl-D-sorbitol
metacyc.compound:CPD-3609 metacycM:CPD-3609 VQHSOMBJVWLPSR-WUJBLJFYSA-N	maltitol 4-O-alpha-D-glucopyranosyl-D-glucitol alpha-D-glucopyranosyl-(1->4)-D-glucitol
hmdb:HMDB02928 keggD:M_D04845 seedM:M_cpd37280	secondary/obsolete/fantasy identifier