(+-)-Penicillamine

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Systematic / IUPAC Name: 2-Amino-3-methyl-3-sulfanylbutanoic acid

ID: Reference13986

Other Names: AA-3887

Formula: C5H11NO2S

Class: Endogenous Metabolites

Spectral Data

(+-)-Penicillamine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 104
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 8/7/2026 10:29:48 AM
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Identificators

InChI InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)
InChI Key VVNCNSJFMMFHPL-UHFFFAOYSA-N
Canonical SMILES CC(C)(S)C(N)C(=O)O
CAS
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Other Names AA-3887

In Other Databases

ChEBI CHEBI:50868
ChemSpider 4565
KEGG C07418
ChEMBL CHEMBL13239
PubChem 4871804; 4727
HMDb HMDB0014997; HMDB0014997; HMDB0014997
DrugBank DB00859