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

Feedback

D-galactaro-1,5-lactone

	Properties	Image
MNX_ID	MNXM145762
reference	chebi:83383
formula	C₆H₇O₇
global charge	-1
mol weight	191.115
InChIKey	YLKFQNUGXOLRNI-KXMYSMCESA-M
InChI	InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/p-1/t1-,2+,3+,4-/m0/s1
SMILES	O=C([O-])[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2+,3+,4-/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:6](=[O:12])[C@@H:3]1[OH:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:83383 chebi:83383 YLKFQNUGXOLRNI-KXMYSMCESA-M	D-galactaro-1,5-lactone (2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylate 1,5-galactarolactone(1-) D-galactaro-1,5-lactone(1-) galactaro-1,5-lactone(1-) galactarolactone(1-)
seed.compound:cpd32793 seedM:cpd32793 YLKFQNUGXOLRNI-KXMYSMCESA-M	1,5-galactarolactone D-galactaro-1,5-lactone galactaro-1,5-lactone galactarolactone
kegg.compound:C20889 keggC:C20889 YLKFQNUGXOLRNI-KXMYSMCESA-N	D-Galactaro-1,5-lactone
CHEBI:84190 chebi:84190 YLKFQNUGXOLRNI-KXMYSMCESA-N	D-galactaro-1,5-lactone (2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylic acid 1,5-galactarolactone galactaro-1,5-lactone galactarolactone
metacyc.compound:CPD-17138 metacycM:CPD-17138 YLKFQNUGXOLRNI-KXMYSMCESA-M	D-galactaro-1,5-lactone 1,5-galactarolactone galactaro-1,5-lactone galactarolactone
keggC:M_C20889 seedM:M_cpd32793	secondary/obsolete/fantasy identifier