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

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D-gulonic acid

	Properties	Image
MNX_ID	MNXM167561
reference	chebi:87753
formula	C₆H₁₂O₇
global charge	0
mol weight	196.155
InChIKey	RGHNJXZEOKUKBD-KKQCNMDGSA-N
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)/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)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:87753 chebi:87753 RGHNJXZEOKUKBD-KKQCNMDGSA-N	D-gulonic acid (2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid Gulonic acid
seed.compound:cpd31939 seedM:cpd31939 RGHNJXZEOKUKBD-KKQCNMDGSA-M	(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid D-gulonate D-gulonic acid
sabiork.compound:27285 sabiorkM:27285 RGHNJXZEOKUKBD-KKQCNMDGSA-M	D-Gulonate
metacyc.compound:CPD-16836 metacycM:CPD-16836 RGHNJXZEOKUKBD-KKQCNMDGSA-M	D-gulonate (2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid D-gulonic acid
hmdb:HMDB0003290 RGHNJXZEOKUKBD-KKQCNMDGSA-N	Gulonic acid (2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid D-Gulonate D-Gulonic acid Gulonate Gulonic acid, (L)-isomer Gulonic acid, ion (1-), (L)-isomer Gulonic acid, monosodium salt, (L)-isomer L-Gulonate L-Gulonic acid gulonic acid
hmdb:HMDB03290 seedM:M_cpd31939	secondary/obsolete/fantasy identifier