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

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aldehydo-D-galacturonate

	Properties	Image
MNX_ID	MNXM736226
reference	chebi:12952
formula	C₆H₉O₇
global charge	-1
mol weight	193.131
InChIKey	IAJILQKETJEXLJ-RSJOWCBRSA-M
InChI	InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/p-1/t2-,3+,4+,5-/m0/s1
SMILES	O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4+,5-/m0/s1
SMILES (mnx)	[CH:1]([C@@H:2]([C@H:3]([C@H:4]([C@@H:5]([C:6](=[O:12])[OH:13])[OH:11])[OH:10])[OH:9])[OH:8])=[O:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	9

Similar chemical compounds in external resources
Identifier	Description
CHEBI:12952 chebi:12952 IAJILQKETJEXLJ-RSJOWCBRSA-M	aldehydo-D-galacturonate D-Galacturonate D-galacturonate
bigg.metabolite:galur biggM:galur IAJILQKETJEXLJ-RSJOWCBRSA-M	D-Galacturonate
vmhM:galur vmhmetabolite:galur IAJILQKETJEXLJ-RSJOWCBRSA-M	D-Galacturonate (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
metacyc.compound:D-GALACTURONATE metacycM:D-GALACTURONATE IAJILQKETJEXLJ-RSJOWCBRSA-M	D-galacturonate D-galactopyranuronic acid D-galacturonic acid D-galaturonate galacturonate galaturonate
hmdb:HMDB0002545 IAJILQKETJEXLJ-RSJOWCBRSA-N	Galacturonic acid (2S,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-oxohexanoate (2S,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-oxohexanoic acid (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid (D)-Galacturonic acid (DL)-Galacturonic acid Aldehydo-D-galacturonate Aldehydo-D-galacturonic acid Anhydrogalacturonic acid Calcium pectate Calcium polygalacturonate D-Galactopyranuronic acid D-Galacturonate D-Galacturonic acid DL-Galacturonic acid Galacturonan Galacturonate Galacturonic acid, (D)-isomer Galacturonic acid, (alpha-D)-isomer Galacturonic acid, calcium, sodium salt, (D)-isomer Galacturonic acid, monosodium salt, (D)-isomer Homogalacturonan Pectate Pectic acid Polygalacturonic acid Polygalacturonic acid homopolymer Polygalacturonic acid, aluminum salt Polygalacturonic acid, calcium salt Polygalacturonic acid, homopolymer (D)-isomer Polygalacturonic acid, homopolymer sodium salt Polygalacturonic acid, sulfated Sodium pectate Sodium polygalacturonate aldehydo-D-galacturonic acid
metacyc.compound:CPD-15633 metacycM:CPD-15633 IAJILQKETJEXLJ-RSJOWCBRSA-M	aldehydo-D-galacturonate
CHEBI:47962 chebi:47962 IAJILQKETJEXLJ-RSJOWCBRSA-N	aldehydo-D-galacturonic acid (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid D-galacturonic acid
metacyc.compound:Galacturonate metacycM:Galacturonate IAJILQKETJEXLJ-RSJOWCBRSA-M	galacturonate
hmdb:HMDB0003348 hmdb:HMDB02545 hmdb:HMDB03348 biggM:M_galur vmhM:M_galur	secondary/obsolete/fantasy identifier