4-Guanidinobutyric acid

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Systematic / IUPAC Name: 4-(Diaminomethylideneamino)butanoic acid

ID: Reference233

Other Names: Butanoic acid, 4-[(aminoiminomethyl)amino]-;
4-(Amidinoamino)butanoic acid;
4-[(Diaminomethylidene)amino]butanoic acid;
Υ-Guanidinobutyrate;
Υ-Guanidinobutyric acid ; more

Formula: C5H11N3O2

Class: Endogenous Metabolites

Spectral Data

4-Guanidinobutyric acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 266
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 11/26/2014 4:56:16 PM
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Identificators

InChI InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)
InChI Key TUHVEAJXIMEOSA-UHFFFAOYSA-N
Canonical SMILES O=C(O)CCC/N=C(/N)N
CAS 463003
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Other Names Butanoic acid, 4-[(aminoiminomethyl)amino]-;
4-(Amidinoamino)butanoic acid;
4-[(Diaminomethylidene)amino]butanoic acid;
Υ-Guanidinobutyrate;
Υ-Guanidinobutyric acid;
4-Guanidinobutanoate;
4-(Carbamimidamido)butanoic acid;
4-Guanidinobutanoic acid;
4-Guanidinobutyrate;
4-(Carbamimidamido)butanoate

In Other Databases

ChEMBL CHEMBL21157
ChemIDPlus 000463003
PubChem 500
KEGG C01035
HMDb HMDB03464
ChEBI CHEBI:15728; CHEBI:57486
ChemSpider 486