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

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5-dehydro-2-deoxy-D-gluconate

MNXM676 is deprecated and here replaced by MNXM1102163
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1102163
reference	chebi:16669
formula	C₆H₉O₆
global charge	-1
mol weight	177.132
InChIKey	UCYNJPYWOSFBAT-CVYQJGLWSA-M
InChI	InChI=1S/C6H10O6/c7-2-4(9)6(12)3(8)1-5(10)11/h3,6-8,12H,1-2H2,(H,10,11)/p-1/t3-,6+/m1/s1
SMILES	O=C([O-])C[C@@H](O)[C@H](O)C(=O)CO

MNX internals

InChI (mnx)	InChI=1/C6H10O6/c7-2-4(9)6(12)3(8)1-5(10)11/h3,6-8,12H,1-2H2,(H,10,11)/t3-,6+/m1/s1
SMILES (mnx)	[CH2:1]([C@H:3]([C@@H:6]([C:4]([CH2:2][OH:7])=[O:9])[OH:12])[OH:8])[C:5](=[O:10])[OH:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	9

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16669 chebi:16669 UCYNJPYWOSFBAT-CVYQJGLWSA-M	5-dehydro-2-deoxy-D-gluconate 2-deoxy-D-threo-hex-5-ulosonate 5-Dehydro-2-deoxy-D-gluconate
kegg.compound:C06892 keggC:C06892 UCYNJPYWOSFBAT-CVYQJGLWSA-N	2-Deoxy-5-keto-D-gluconic acid 2-Deoxy-D-threo-hex-5-ulosonic acid 5-Dehydro-2-deoxy-D-gluconate DKH
bigg.metabolite:2ins biggM:2ins	2-Inosose
vmhM:d5kg vmhmetabolite:d5kg UCYNJPYWOSFBAT-CVYQJGLWSA-M	2-deoxy-5-keto-D-gluconic acid VMH API:automatic:01-Jul-2022 23:10:41
CHEBI:27972 chebi:27972 UCYNJPYWOSFBAT-CVYQJGLWSA-N	2-deoxy-D-gluc-5-ulosonic acid 2-Deoxy-5-keto-D-gluconic acid 2-deoxy-D-threo-hex-5-ulosonic acid 5-dehydro-2-deoxy-D-gluconic acid DKH
seed.compound:cpd02446 seedM:cpd02446 UCYNJPYWOSFBAT-CVYQJGLWSA-M	5-Dehydro-2-deoxy-D-gluconate 2-Deoxy-5-keto-D-gluconic acid 2-Deoxy-D-threo-hex-5-ulosonic acid 2-deoxy-5-dehydro-D-gluconate 2-deoxy-5-keto-D-gluconate 2-deoxy-5-keto-D-gluconic acid 5-dehydro-2-deoxy-D-gluconate DKH
metacyc.compound:CPD-827 metacycM:CPD-827 UCYNJPYWOSFBAT-CVYQJGLWSA-M	5-dehydro-2-deoxy-D-gluconate 2-deoxy-5-dehydro-D-gluconate 2-deoxy-5-keto-D-gluconate 2-deoxy-5-keto-D-gluconic acid
chebi:1074 chebi:12115 chebi:19550 chebi:2047 chebi:20560 biggM:M_2ins keggC:M_C06892 seedM:M_cpd02446 vmhM:M_d5kg	secondary/obsolete/fantasy identifier