DL-Cystine

Details

• Internal ID: c8c30720-74d8-44e8-a053-c43a4f665508
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Cysteine and derivatives
• IUPAC Name: 2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid
• SMILES (Canonical): C(C(C(=O)O)N)SSCC(C(=O)O)N
• SMILES (Isomeric): C(C(C(=O)O)N)SSCC(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)
• InChI Key: LEVWYRKDKASIDU-UHFFFAOYSA-N
• Popularity: 8,093 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

• 2-Azaniumyl-3-((2-Azaniumyl-2-Carboxylatoethyl)Disulfanyl)Propanoate
• DL-CYSTINE
• 923-32-0
• MFCD00084652
• .beta.,.beta.'-Dithiodialanine
• C6H12N2O4S2
• (H-Cys-OH)
• (+/-)-3,3'-Dithiobis(2-aminopropionicacid)
• Bis(.beta.-amino-.beta.-carboxyethyl) disulfide
• NSC 13203
• ( inverted exclamation markA)-3,3 inverted exclamation marka-Dithiobis(2-aminopropionicacid)
• Zystin
• NSC 203781
• NSC-203781
• NCGC00164531-01
• 3,3'-Dithiobis(2-aminopropionic acid)
• Alanine,3'-dithiodi-
• DL-Cystine, 99%
• Alanine,3'-dithiobis-
• L-3,3'-dithiodialanine
• CYSTINE, (L)
• Cystine_RamanathanGurudeeban
• SCHEMBL10224
• CHEMBL366563
• orb2944195
• (2R)-2-amino-3-{[(2S)-2-amino-2-carboxyethyl]disulfanyl}propanoic acid
• BDBM86199
• .beta.,.beta.'-Dithiobisalanine
• CAS_595
• NSC_595
• Pharmakon1600-01300099
• 2-amino-3-[(2-amino-2-carboxy-ethyl)disulfanyl]propanoic acid
• BCP29195
• BBL011587
• CAS_67678
• MSK168259
• NSC_67678
• NSC203781
• NSC205366
• NSC755897
• STL163324
• AKOS000121517
• AKOS016050601
• CS-W014656
• FC40915
• FD21212
• HY-W013940
• NSC-205366
• NSC-755897
• TRA0048972
• .beta.,.beta.'-dicarboxydiethyldisulfide
• 3,7-diamino-5-phenyl-phenaziniuchloride
• NCGC00164531-02
• NCGC00164531-03
• AK-43995
• AK-49718
• AS-66164
• DA-52600
• SY038309
• .beta.,.beta.'-dicarboxydiethyl disulfide
• SBI-0207067.P001
• DB-052986
• TC-066536
• NS00100003
• ST45022122
• EN300-34180
• Bis(.beta.-amino-.beta.-carboxyethyl)disulfide
• C01420
• 923C320
• F237045
• SR-01000872746
• DL-Cystine (H-DL-Cys(1)-OH.H-DL-Cys(1)-OH)
• SR-01000872746-1
• BRD-A15397381-001-02-5
• Q27102343
• Z56346947
• L-Cystin;Acetylcysteine Impurity A;3,3'-Dithiodialanine
• Propanoic acid,3'-dithiobis[2-amino-, [R-(R*,R*)]-
• L-Cystine, from non-animal source, suitable for cell culture
• .beta.,.beta.'-Diamino-.beta.,.beta.'-dicarboxydiethyl disulfide
• 5228F255-51E7-421E-8A05-4687B20118CB
• 2-amino-3-(2-amino-3-hydroxy-3-oxopropyl)disulfanylpropansäure
• 2-amino-3-[(2-amino-3-hydroxy-3-oxo-propyl)disulfanyl]propanoic acid

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
• Antirrhinum majus
• Glycine max

Cross-Links

• PubChem: 595
• NPASS: NPC213876
• ChEMBL: CHEMBL366563
• LOTUS: LTS0182404
• wikiData: Q27102343