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

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5-amino-2-hydroxybenzoate

	Properties	Image
MNX_ID	MNXM19283
reference	chebi:20551
formula	C₇H₆NO₃
global charge	-1
mol weight	152.129
InChIKey	KBOPZPXVLCULAV-UHFFFAOYSA-M
InChI	InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)/p-1
SMILES	NC1=CC=C(O)C(C(=O)[O-])=C1

MNX internals

InChI (mnx)	InChI=1/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
SMILES (mnx)	[CH:1]1=[CH:2][C:6]([OH:9])=[C:5]([C:7](=[O:10])[OH:11])[CH:3]=[C:4]1[NH2:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:20551 chebi:20551 KBOPZPXVLCULAV-UHFFFAOYSA-M	5-amino-2-hydroxybenzoate 5-aminosalicylate 5-aminosalicylate anion 5-aminosalicylate(1-) mesalaminate mesalaminate anion mesalaminate(1-)
envipath:...1c3647929532 envipathM:...1c3647929532 KBOPZPXVLCULAV-UHFFFAOYSA-M	5-Aminosalicylate
kegg.compound:C07138 keggC:C07138 KBOPZPXVLCULAV-UHFFFAOYSA-N	5-Aminosalicylate 5-Amino-2-hydroxybenzoate
vmhM:5asa vmhmetabolite:5asa KBOPZPXVLCULAV-UHFFFAOYSA-M	5-Aminosalicylic Acid (Mesalamine)
metacyc.compound:CPD-12711 metacycM:CPD-12711 KBOPZPXVLCULAV-UHFFFAOYSA-M	5-aminosalicylate 3-carboxy-4-hydroxyaniline 5-amino-2-hydroxybenzoate 5-amino-2-hydroxybenzoic acid 5-aminosalicylic acid mesalamine mesalazine
seed.compound:cpd23546 seedM:cpd23546 KBOPZPXVLCULAV-UHFFFAOYSA-M	5-aminosalicylate 3-carboxy-4-hydroxyaniline 5-amino-2-hydroxybenzoate mesalamine mesalazine
kegg.drug:D00377 keggD:D00377 KBOPZPXVLCULAV-UHFFFAOYSA-N	Mesalamine (USP) Apriso (TN) Asacol (TN) Canasa (TN) Delzicol (TN) Lialda (TN) Mesalamine (TN) Mesalazine (JP18/INN) Pentasa (TN) Rowasa (TN) Sfrowasa (TN)
hmdb:HMDB0014389 KBOPZPXVLCULAV-UHFFFAOYSA-N	Mesalazine 3-Carboxy-4-hydroxyaniline 5 Aminosalicylate 5 Aminosalicylic acid 5-ASA 5-Aminosalicylate 5-Aminosalicylic acid 5-amino-2-hydroxybenzoic acid Allphar brand OF mesalamine Antigen brand OF mesalamine Apriso Asacol Asacolitin Asacolon Ascolitin Axcan brand OF mesalamine Byk brand OF mesalamine Canasa Celltech brand OF mesalamine Claversal Delzicol Falk brand OF mesalamine Farmasa brand OF mesalamine Ferring brand OF mesalamine Fisalamine Fivasa GlaxoSmithKline brand OF mesalamine Henning berlin brand OF mesalamine Hydrochloride, mesalamine Iialda Lialda Lixacol Merckle brand OF mesalamine Mesalamine Mesalamine hydrochloride Mesalamine monosodium salt Mesalazina Mesalazinum Mesasal Meta aminosalicylic acid Meta-aminosalicylic acid Monosodium salt, mesalamine Norgine brand OF mesalamine Novo 5 asa Novo-5 asa Novo5 asa Novopharm brand OF mesalamine Pentasa Procter and gamble brand OF mesalamine Provalis brand OF mesalamine Rowasa Salofalk Sanofi synthelabo brand OF mesalamine Schering plough brand OF mesalamine Schering-plough brand OF mesalamine Sfrowasa SmithKline brand OF mesalamine Solvay brand OF mesalamine Yamanouchi brand OF mesalamine m Aminosalicylic acid m-Aminosalicylate m-Aminosalicylic acid mesalazine p-Aminosalicylsaeure
envipath:...83f45a27c3e2 envipathM:...83f45a27c3e2 KBOPZPXVLCULAV-UHFFFAOYSA-M	compound 0062717
envipath:...4389b6c76059 envipathM:...4389b6c76059 KBOPZPXVLCULAV-UHFFFAOYSA-L	compound 0236711
CHEBI:6775 chebi:6775 KBOPZPXVLCULAV-UHFFFAOYSA-N	mesalamine 3-carboxy-4-hydroxyaniline 5-ASA 5-Aminosalicylic acid 5-amino-2-hydroxybenzoic acid Asacol Asacolitin Canasa Claversal Fisalamine Iialda Lixacol Mesalazine Mesasal Pentasa Rowasa Salofalk m-Aminosalicylic acid mesalazina mesalazine mesalazinum p-Aminosalicylsaeure
hmdb:HMDB14389 keggC:M_C07138 keggD:M_D00377 seedM:M_cpd23546 vmhM:M_5asa	secondary/obsolete/fantasy identifier