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

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D-idonate

	Properties	Image
MNX_ID	MNXM114501
reference	metacycM:CPD-14807
formula	C₆H₁₁O₇
global charge	-1
mol weight	195.147
InChIKey	RGHNJXZEOKUKBD-LECHCGJUSA-M
InChI	InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1/t2-,3+,4-,5+/m1/s1
SMILES	O=C([O-])[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO

MNX internals

InChI (mnx)	InChI=1/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5+/m1/s1
SMILES (mnx)	[CH2:1]([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])[OH:7]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-14807 metacycM:CPD-14807 seed.compound:cpd33581 seedM:cpd33581 RGHNJXZEOKUKBD-LECHCGJUSA-M	D-idonate
seedM:M_cpd33581	secondary/obsolete/fantasy identifier