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

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1,5-anhydro-D-glucitol

	Properties	Image
MNX_ID	MNXM3776
reference	chebi:16070
formula	C₆H₁₂O₅
global charge	0
mol weight	164.157
InChIKey	MPCAJMNYNOGXPB-SLPGGIOYSA-N
InChI	InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
SMILES	OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
SMILES (mnx)	[CH2:1]([C@@H:4]1[C@@H:6]([OH:10])[C@H:5]([OH:9])[C@@H:3]([OH:8])[CH2:2][O:11]1)[OH:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16070 chebi:16070 MPCAJMNYNOGXPB-SLPGGIOYSA-N	1,5-anhydro-D-glucitol (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol 1,5-ANHYDROSORBITOL 1,5-Anhydro-D-glucitol 1,5-Anhydro-D-sorbitol 1,5-Anhydroglucitol 1,5-anhydro-D-sorbitol 1,5-anhydroglucitol
envipath:...044513aabbb3 envipathM:...044513aabbb3 MPCAJMNYNOGXPB-SLPGGIOYSA-N	1,5-Anhydro-D-glucitol
sabiork.compound:9437 sabiorkM:9437 kegg.compound:C07326 keggC:C07326 MPCAJMNYNOGXPB-SLPGGIOYSA-N	1,5-Anhydro-D-glucitol 1,5-Anhydro-D-sorbitol 1,5-Anhydroglucitol
vmhM:15ahgtl vmhmetabolite:15ahgtl MPCAJMNYNOGXPB-SLPGGIOYSA-N	1,5-Anhydroglucitol (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol
seed.compound:cpd04531 seedM:cpd04531 MPCAJMNYNOGXPB-SLPGGIOYSA-N	1,5-Anhydroglucitol 1,5-Anhydro-D-glucitol 1,5-Anhydro-D-sorbitol 1,5-anhydro-D-glucitol 1,5-anhydro-D-sorbitol 1,5-anhydroglucitol 1-deoxy-D-glucopyranose
hmdb:HMDB0002712 MPCAJMNYNOGXPB-SLPGGIOYSA-N	1,5-Anhydrosorbitol (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol 1,5-AG 1,5-ANHYDROSORBITOL 1,5-Anhydro-D-sorbitol 1,5-Anhydroglucitol 1,5-Sorbitan 1,5-anhydro-D-Glucitol 1,5-anhydroglucitol 1-Deoxy-D-glucopyranose 1-Deoxy-D-glucose 1-Deoxyglucose Aceritol Polygalitol
metacyc.compound:15-ANHYDRO-D-GLUCITOL metacycM:15-ANHYDRO-D-GLUCITOL MPCAJMNYNOGXPB-SLPGGIOYSA-N	1,5-anhydro-D-glucitol 1,5-anhydro-D-sorbitol 1,5-anhydroglucitol 1-deoxy-D-glucopyranose
hmdb:HMDB0011726 hmdb:HMDB0011736 hmdb:HMDB02712 hmdb:HMDB11726 hmdb:HMDB11736 chebi:11176 chebi:18943 chebi:40816 chebi:550 keggC:M_C07326 seedM:M_cpd04531 vmhM:M_15ahgtl	secondary/obsolete/fantasy identifier