D-Cystine

Details

• Internal ID: 993658cd-be0f-4451-b945-25d523b27e7c
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Cysteine and derivatives
• IUPAC Name: (2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid
• SMILES (Canonical): C(C(C(=O)O)N)SSCC(C(=O)O)N
• SMILES (Isomeric): C([C@H](C(=O)O)N)SSC[C@H](C(=O)O)N
• InChI: InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1
• InChI Key: LEVWYRKDKASIDU-QWWZWVQMSA-N
• Popularity: 6,472 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₂N₂O₄S₂
• Molecular Weight: 240.30 g/mol
• Exact Mass: 240.02384922 g/mol
• Topological Polar Surface Area (TPSA): 177.00 Ų
• XlogP: -6.30

Synonyms

• 349-46-2
• Cystine D-form
• (S)-Cystine
• Cystine, D-
• Cystine, DL-
• KX1RHN0Y0B
• cystine
• (2S,2'S)-3,3'-disulfanediylbis(2-aminopropanoic acid)
• 06681CV9GH
• C6H12N2O4S2
• MFCD00002610
• (2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid
• (2S,2'S)-3,3'-dithiobis(2-aminopropanoic acid)
• (2S)-2-ammonio-3-[[(2S)-2-ammonio-2-carboxylatoethyl]disulfanyl]propanoate
• Cystine, d
• (S,S)-3,3'-Dithiobis(2-aminopropionic acid)
• UNII-KX1RHN0Y0B
• (2S)-2-amino-3-{[(2S)-2-amino-2-carboxyethyl]disulfanyl}propanoic acid
• Cystine DL-form
• NSC-203781
• EINECS 206-486-2
• D-Cystine, free base
• D-Cystine, 98%
• D-CYSTINE [MI]
• CYSTINE DL-FORM [MI]
• UNII-06681CV9GH
• beta,beta'-Dithioalanine, dl-
• CCRIS 8599
• SCHEMBL5018669
• CHEBI:35494
• LEVWYRKDKASIDU-QWWZWVQMSA-N
• DTXSID301031752
• EINECS 213-094-5
• FD3019
• AKOS024257100
• CS-W001941
• HY-W001941
• NSC 203781
• NCGC00166007-01
• AS-13542
• BP-13238
• 3,3'-Dithiobis(2-aminopropanoic acid), dl-
• C-9760
• EN300-254099
• Q27116494
• Z1269180278

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	96.20%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.69%	96.09%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	91.93%	92.29%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	87.71%	96.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.15%	99.17%
CHEMBL221	P23219	Cyclooxygenase-1	82.63%	90.17%

Plants that contains it

• Allium sativum
• Cannabis sativa
• Glycine max
• Jatropha gossypiifolia
• Juncus roemerianus
• Laburnum anagyroidis
• Panax ginseng
• Piper macropiper
• Psophocarpus tetragonolobus
• Senna obtusifolia
• Thymus transcaucasicus

Cross-Links

• PubChem: 6857538
• LOTUS: LTS0086550
• wikiData: Q105186175