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

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D-glucaro-1,5-lactone

	Properties	Image
MNX_ID	MNXM18123
reference	chebi:83384
formula	C₆H₇O₇
global charge	-1
mol weight	191.115
InChIKey	YLKFQNUGXOLRNI-QDQPNEQZSA-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)	5
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:83384 chebi:83384 YLKFQNUGXOLRNI-QDQPNEQZSA-M	D-glucaro-1,5-lactone (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylate D-glucaro-1,5-lactone(1-)
seed.compound:cpd23489 seedM:cpd23489 YLKFQNUGXOLRNI-QDQPNEQZSA-M	1,5-glucarolactone D-glucaro-1,5-lactone D-glucaro-delta-lactone D-glucarolactone delta-glucarolactone glucaric acid lactone glucaric lactone glucaro-1,5-lactone glucaro-delta-lactone glucarolactone
kegg.compound:C20890 keggC:C20890 YLKFQNUGXOLRNI-QDQPNEQZSA-N	D-Glucaro-1,5-lactone
CHEBI:84191 chebi:84191 YLKFQNUGXOLRNI-QDQPNEQZSA-N	D-glucaro-1,5-lactone (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylic acid 1,5-glucarolactone D-glucaro-delta-lactone D-glucarolactone delta-glucarolactone glucaric acid lactone glucaric lactone glucaro-1,5-lactone glucaro-delta-lactone glucarolactone
metacyc.compound:CPD-12595 metacycM:CPD-12595 YLKFQNUGXOLRNI-QDQPNEQZSA-M	D-glucaro-1,5-lactone 1,5-glucarolactone D-glucaro-delta-lactone delta-glucarolactone glucaro-1,5-lactone glucaro-delta-lactone
keggC:M_C20890 seedM:M_cpd23489	secondary/obsolete/fantasy identifier