Dataset

3-Mercapto-D-valine, Cupripen, beta-Thiovaline, (2S)-2-Amino-3-methyl-3-sulfanylbutanoic acid, 3,3-Dimethyl-D-cysteine, alpha-Amino-beta-methyl-beta-mercaptobutylic Acid, Kuprenil, Perdolat, Depen, DPA, D-(?)-2-Amino-3-mercapto-3-methylbutanoic acid, D-(-)-Penicillamine

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS019601 contains the MS2 mass spectrum of 3-Mercapto-D-valine, Cupripen, beta-Thiovaline, (2S)-2-Amino-3-methyl-3-sulfanylbutanoic acid, 3,3-Dimethyl-D-cysteine, alpha-Amino-beta-methyl-beta-mercaptobutylic Acid, Kuprenil, Perdolat, Depen, DPA, D-(?)-2-Amino-3-mercapto-3-methylbutanoic acid, D-(-)-Penicillamine with the InChIkey VVNCNSJFMMFHPL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)
SMILES CC(C)(C(C(=O)O)N)S
InChI Key VVNCNSJFMMFHPL-UHFFFAOYSA-N
Molecular Formula C5H11NO2S
Exact Mass 149.213 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS019601
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:06:45.320661
MetadataModified 2024-01-11T21:06:45.478660
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB2488772 ChemicalBook
HMDB0014997 Human Metabolome Database
5541 Brenda
2496 Brenda
DTXSID7044687 EPA CompTox Dashboard
2XOP7Y1H98 FDA SRS
4303221 PubChem
4871804 PubChem
3799362 PubChem
PD003021 ProbesDrugs
16007711 PubChem: Thomson Pharma
52-66-4 ACToR
5139-02-6 ACToR
penicillamine Atlas
4727 PubChem
SCHEMBL57527 SureChEMBL
CEDFEW CCDC
J60.801G Nikkaji
20037726 NMRShiftDB
MCULE-4184299411 Mcule
CHEMBL13239 ChEMBL
SAM002264642 NIH Clinical Collection
50868 ChEBI
519112 eMolecules
The data in this table is sourced from UniChem at EBI.