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4-guanidinobenzoic acid

PropertiesImage
MNX_IDMNXM37456 Image of MNXM37456
referencechebi:125204
formulaC8H9N3O2
global charge0
mol weight179.179
InChIKeySXTSBZBQQRIYCU-UHFFFAOYSA-N
InChIInChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
SMILESN=C(N)NC1=CC=C(C(=O)O)C=C1
MNX internals
InChI (mnx)InChI=1/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11) Image of MNXM37456
SMILES (mnx)[CH:1]1=[CH:3][C:6]([NH:11][C:8](=[NH:9])[NH2:10])=[CH:4][CH:2]=[C:5]1[C:7]([OH:12])=[O:13]
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
IdentifierDescription

CHEBI:125204
chebi:125204
SXTSBZBQQRIYCU-UHFFFAOYSA-N
4-guanidinobenzoic acid
4-Guanidino-benzoic acid
4-carbamimidamidobenzoic acid
p-guanidinobenzoic acid
hmdb:HMDB0246433
SXTSBZBQQRIYCU-UHFFFAOYSA-N
4-Guanidinobenzoic acid
4-Guanidino-benzoate
4-Guanidino-benzoic acid
4-Guanidinobenzoate
4-Guanidinobenzoate, monohydrobromide
4-Guanidinobenzoate, monohydrochloride
4-carbamimidamidobenzoic acid
4-guanidinobenzoic acid
Para-guanidinobenzoate
p-Guanidinobenzoate
p-Guanidinobenzoic acid

sabiork.compound:28183
sabiorkM:28183
SXTSBZBQQRIYCU-UHFFFAOYSA-N
p-Guanidinobenzoic acid

chebi:42695
secondary/obsolete/fantasy identifier