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

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lactitol

	Properties	Image
MNX_ID	MNXM1371212
reference	chebi:75323
formula	C₁₂H₂₄O₁₁
global charge	0
mol weight	344.313
InChIKey	VQHSOMBJVWLPSR-JVCRWLNRSA-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:75323 chebi:75323 VQHSOMBJVWLPSR-JVCRWLNRSA-N	lactitol 4-O-beta-D-galactopyranosyl-D-glucitol D-lactitol Importal WURCS=2.0/2,2,1/[h2122h][a2112h-1b_1-5]/1-2/a4-b1 lactitolum
sabiork.compound:28296 sabiorkM:28296 VQHSOMBJVWLPSR-JVCRWLNRSA-N	Lactitol
kegg.drug:D08266 keggD:D08266 VQHSOMBJVWLPSR-JVCRWLNRSA-N	Lactitol (NF/INN) Importal (TN) Pizensy (TN)
hmdb:HMDB0040937 VQHSOMBJVWLPSR-JVCRWLNRSA-N	Lactitol (2S,3R,4R,5R)-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,5,6-pentol 4-O-beta-D-Galactopyranosyl-D-glucitol D-Lactitol Emportal Importal Lactitolum Neda lactiv importal Oponaf Pizensy WURCS=2.0/2,2,1/[H2122H][a2112h-1b_1-5]/1-2/a4-b1 lactitol
seed.compound:cpd26505 seedM:cpd26505 VQHSOMBJVWLPSR-JVCRWLNRSA-N	importal beta-D-galactopyranosyl-(1->4)-D-glucitol
metacyc.compound:CPD0-2460 metacycM:CPD0-2460 VQHSOMBJVWLPSR-JVCRWLNRSA-N	lactitol 4-O-beta-D-galactopyranosyl-D-glucitol D-lactitol beta-D-galactopyranosyl-(1->4)-D-glucitol importal
hmdb:HMDB40937 keggD:M_D08266 seedM:M_cpd26505	secondary/obsolete/fantasy identifier