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N-acetyl-5-aminosalicylic acid

PropertiesImage
MNX_IDMNXM19565 Image of MNXM19565
referencechebi:89810
formulaC9H9NO4
global charge0
mol weight195.174
InChIKeyGEFDRROBUCULOD-UHFFFAOYSA-N
InChIInChI=1S/C9H9NO4/c1-5(11)10-6-2-3-8(12)7(4-6)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14)
SMILESCC(=O)NC1=CC=C(O)C(C(=O)O)=C1
MNX internals
InChI (mnx)InChI=1/C9H9NO4/c1-5(11)10-6-2-3-8(12)7(4-6)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14) Image of MNXM19565
SMILES (mnx)[CH3:1][C:5](=[N:10][C:6]1=[CH:4][C:7]([C:9](=[O:13])[OH:14])=[C:8]([OH:12])[CH:3]=[CH:2]1)[OH:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:89810
chebi:89810
GEFDRROBUCULOD-UHFFFAOYSA-N 		N-acetyl-5-aminosalicylic acid
5-acetamido-2-hydroxybenzoic acid

seed.compound:cpd31490
seedM:cpd31490
GEFDRROBUCULOD-UHFFFAOYSA-M 		5-acetamido-2-hydroxybenzoate
N-acetyl-5-aminosalicylate

vmhM:ac5asa
vmhmetabolite:ac5asa
GEFDRROBUCULOD-UHFFFAOYSA-M 		N-Acetyl-5-Aminosalicylic Acid

metacyc.compound:CPD-21054
metacycM:CPD-21054
GEFDRROBUCULOD-UHFFFAOYSA-M 		N-acetyl-5-aminosalicylate
5-acetamido-2-hydroxybenzoate
5-acetamido-2-hydroxybenzoic acid
N-acetyl-5-aminosalicylic acid
N-acetylmesalazine
hmdb:HMDB0060602
GEFDRROBUCULOD-UHFFFAOYSA-N 		N-acetyl-5-aminosalicylic acid
5-Acetylaminosalicylate
5-acetamido-2-hydroxybenzoic acid
N-Acetyl-5-aminosalicylate
N-Acetyl-5-aminosalicylic acid
N-Acetyl-5-aminosalicylic acid, monosodium salt

hmdb:HMDB60602
seedM:M_cpd31490
vmhM:M_ac5asa 		secondary/obsolete/fantasy identifier