Homocystine

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Systematic / IUPAC Name: 2-Amino-4-[(3-amino-3-carboxypropyl)disulfanyl]butanoic acid

ID: Reference13949

Other Names: DL-Homocystine;
AA-3548

Formula: C8H16N2O4S2

Class: Endogenous Metabolites

Spectral Data

Homocystine 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 2
No. of Spectra 1069
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/11/2026 9:07:50 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)
InChI Key ZTVZLYBCZNMWCF-UHFFFAOYSA-N
Canonical SMILES NC(CCSSCCC(N)C(=O)O)C(=O)O
CAS
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Other Names DL-Homocystine;
AA-3548

In Other Databases

HMDb HMDB0000575; HMDB0000575; HMDB00575
ChEMBL CHEMBL212056
ChEBI CHEBI:17485
PubChem 4868168
ChemSpider 9616
KEGG C01817