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

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3,4,5-trihydroxybenzoate

	Properties	Image
MNX_ID	MNXM670
reference	chebi:16918
formula	C₇H₅O₅
global charge	-1
mol weight	169.112
InChIKey	LNTHITQWFMADLM-UHFFFAOYSA-M
InChI	InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)/p-1
SMILES	O=C([O-])C1=CC(O)=C(O)C(O)=C1

MNX internals

InChI (mnx)	InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
SMILES (mnx)	[CH:1]1=[C:3]([C:7](=[O:11])[OH:12])[CH:2]=[C:5]([OH:9])[C:6]([OH:10])=[C:4]1[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	21
in models (compartimentalized)	6

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16918 chebi:16918 LNTHITQWFMADLM-UHFFFAOYSA-M	3,4,5-trihydroxybenzoate gallate
envipath:...86304bed05ad envipathM:...86304bed05ad vmhM:glt vmhmetabolite:glt LNTHITQWFMADLM-UHFFFAOYSA-M	Gallate
seed.compound:cpd01020 seedM:cpd01020 LNTHITQWFMADLM-UHFFFAOYSA-M	Gallate 3,4,5-Trihydroxybenzoate 3,4,5-Trihydroxybenzoic acid 3,4,5-trihydroxybenzoate 3,4,5-trihydroxybenzoic acid Gallic acid Pyrogallol-5-carboxylic acid ga gallate gallic acid pyrogallol-5-carboxylate pyrogallol-5-carboxylic acid
sabiork.compound:5573 sabiorkM:5573 kegg.compound:C01424 keggC:C01424 LNTHITQWFMADLM-UHFFFAOYSA-N	Gallate 3,4,5-Trihydroxybenzoate 3,4,5-Trihydroxybenzoic acid Gallic acid Pyrogallol-5-carboxylic acid
bigg.metabolite:ga biggM:ga	Gallic acid
hmdb:HMDB0005807 LNTHITQWFMADLM-UHFFFAOYSA-N	Gallic acid 3,4,5-Hydroxybenzoic acid 3,4,5-Trihydroxy-benzoate 3,4,5-Trihydroxy-benzoic acid 3,4,5-Trihydroxybenzoate 3,4,5-Trihydroxybenzoic acid 3,4,5-Trihydroxybenzoic acid (acd/name 4.0) 3,4,5-trihydroxybenzoic acid Acid, gallic Gallate Gallic acid polymer Gallic acid tech. Galop Pyrogallol-5-carboxylate Pyrogallol-5-carboxylic acid galop
envipath:...12d2245b9ded envipathM:...12d2245b9ded LNTHITQWFMADLM-UHFFFAOYSA-M	compound 0046975
metacyc.compound:CPD-183 metacycM:CPD-183 LNTHITQWFMADLM-UHFFFAOYSA-M	gallate 3,4,5-trihydroxybenzoate 3,4,5-trihydroxybenzoic acid gallic acid pyrogallol-5-carboxylate pyrogallol-5-carboxylic acid
CHEBI:30778 chebi:30778 LNTHITQWFMADLM-UHFFFAOYSA-N	gallic acid 3,4,5-Trihydroxybenzoic acid 3,4,5-trihydroxybenzoic acid Gallic acid Pyrogallol-5-carboxylic acid
hmdb:HMDB05807 chebi:11686 chebi:14291 chebi:24178 chebi:24180 chebi:5268 biggM:M_ga keggC:M_C01424 seedM:M_cpd01020 vmhM:M_glt	secondary/obsolete/fantasy identifier