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

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beta-D-galacturonate

	Properties	Image
MNX_ID	MNXM1106181
reference	chebi:85312
formula	C₆H₉O₇
global charge	-1
mol weight	193.131
InChIKey	AEMOLEFTQBMNLQ-DTEWXJGMSA-M
InChI	InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/p-1/t1-,2+,3+,4-,6+/m0/s1
SMILES	O=C([O-])[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1
SMILES (mnx)	[C@H:1]1([OH:7])[C@@H:2]([OH:8])[C@@H:4]([C:5](=[O:10])[OH:11])[O:13][C@@H:6]([OH:12])[C@@H:3]1[OH:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	29
in models (compartimentalized)	6

Similar chemical compounds in external resources
Identifier	Description
CHEBI:85312 chebi:85312 AEMOLEFTQBMNLQ-DTEWXJGMSA-M	beta-D-galacturonate beta-D-galactopyranuronate
seed.compound:cpd00280 seedM:cpd00280 AEMOLEFTQBMNLQ-YMDCURPLSA-M	D-Galacturonate D-GALACTURONATE D-Galactopyranuronate D-Galacturonic acid aldehydo-D-galacturonate galur
sabiork.compound:2020 sabiorkM:2020 kegg.compound:C00333 keggC:C00333 AEMOLEFTQBMNLQ-YMDCURPLSA-N	D-Galacturonate D-Galacturonic acid
metacyc.compound:D-Galactopyranuronate metacycM:D-Galactopyranuronate AEMOLEFTQBMNLQ-YMDCURPLSA-M	D-galactopyranuronate D-galactopyranuronic acid
CHEBI:4153 chebi:4153 AEMOLEFTQBMNLQ-YMDCURPLSA-N	D-galactopyranuronic acid D-Galacturonic acid
CHEBI:75525 chebi:75525 AEMOLEFTQBMNLQ-YMDCURPLSA-M	D-galacturonate D-galactopyranuronate
kegg.compound:C08348 keggC:C08348 AEMOLEFTQBMNLQ-DTEWXJGMSA-N	Galacturonic acid
hmdb:HMDB0003402 AEMOLEFTQBMNLQ-DTEWXJGMSA-N	Pectin (+)-Xylose (2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid 2,3,4,5-Tetrahydroxypentanal Calcium pectinate D-Lyxose DL-Xylose Galacturonate L(+)-Xylose L-Lyxose Lyxose Methoxy pectin Methoxylpectin Methoxypectin Pectin sugar Pectinic acid Pectinose Pentose Trobicin Zinc pectinate b-D-Galactopyranuronate b-D-Galactopyranuronic acid b-D-Galacturonate b-D-Galacturonic acid beta-D-Galactopyranuronate beta-D-Galacturonate beta-D-galactopyranuronate beta-D-galactopyranuronic acid beta-D-galacturonate beta-D-galacturonic acid
metacyc.compound:CPD-12524 metacycM:CPD-12524 AEMOLEFTQBMNLQ-DTEWXJGMSA-M	beta-D-galacturonate beta-D-galacturonic acid
CHEBI:47954 chebi:47954 AEMOLEFTQBMNLQ-DTEWXJGMSA-N	beta-D-galacturonic acid beta-D-galactopyranuronic acid
seed.compound:cpd05262 seedM:cpd05262 AEMOLEFTQBMNLQ-DTEWXJGMSA-M	galacturonate Galacturonic acid beta-D-galacturonate beta-D-galacturonic acid cbs_338
vmhM:pect vmhmetabolite:pect AEMOLEFTQBMNLQ-DTEWXJGMSA-N	pectins (2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
hmdb:HMDB03402 keggC:M_C00333 keggC:M_C08348 seedM:M_cpd00280 seedM:M_cpd05262 vmhM:M_pect	secondary/obsolete/fantasy identifier