Basic information
- CAS
535-34-2- Standard SMILES
NC(CCSCC(N)C(=O)O)C(=O)O- InChIKey
ILRYLPWNYFXEMH-UHFFFAOYSA-N- Molecular formula
- C7H14N2O4S
- Average molar mass
- 222.26 g/mol
- Monoisotopic mass
- 222.06742811
Overview
Cystathionine is a modified amino acid generated by enzymic means from homocysteine and serine. It has a role as a metabolite. It is an organic sulfide and a member of cystathionines.
Names & identifiers
- Preferred name
- Cystathionine
- IUPAC
- 2-amino-4-(2-amino-2-carboxyethyl)sulfanylbutanoic acid
- English name
- Cystathionine
- Molecular formula
- C7H14N2O4S
- Molecular weight
- 222.26
Names & synonyms
cystathionineDL-Cystathionine535-34-2DL-AllocystathionineS-(2-amino-2-carboxyethyl)homocysteine2-amino-4-(2-amino-2-carboxyethyl)sulfanylbutanoic acidHomocysteine, S-(2-amino-2-carboxyethyl)-2-amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acidCHEBI:17755DTXSID50861587DTXSID209713842-Amino-4-((2-Amino-2-Carboxyethyl)Sulfanyl)Butanoic Acid
Show more names
Allocystathionine[2H4]-D,L-cystathioninedl,dl-allo-cystathionine-2-Amino-4-((2-amino-2-carboxyethyl)S-[2-AMINO-2-CARBOXYETHYL]HOMOCYSTEINES-(2-amino-2-carboxyethyl)-DL-homocysteine2-aMino-4-((2-aMino-2-carboxyethyl)thio)butanoic acid2-amino-4-(2-amino-2-carboxy-ethyl)sulfanyl-butanoic acid
RefChem:919493DTXCID90810498DTXCID3013988992-Amino-4-(2-Amino-2-Carboxy-Ethyl) Thio-Butanoic Acid2-azaniumyl-4-(2-azaniumyl-2-carboxylatoethyl)sulfanylbutanoate208-613-7D,L-Cystathioninecystathione
Database identifiers
- CAS
535-34-2- PubChem CID
- 834
- DTXSID
DTXSID50861587- ChEMBL
CHEMBL209241- ChEBI
CHEBI:17755- EC Number
- 208-613-7
- Nikkaji
- J40.891C
Properties
Computed structural properties
- XLogP
- -6
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Amino Acids and Derivatives
Physical DescriptionSolid; [Merck Index] White powder; [Sigma-Aldrich MSDS]
Collision Cross Section
144.6 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
143.9 Ų [M-H]-
Physicochemical properties
- Melting point
- 315 · 315-316°C dec.
- Boiling point
- 481 · 481.0±45.0 °C(Predicted)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Aqueous Acid (Slightly), Water (Slightly, Sonicated)
- form
- Solid
- pka
- 2.08 · 2.08±0.10(Predicted)
- color
- White to Off-White
- InChI
- 1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
- InChIKey
- ILRYLPWNYFXEMH-UHFFFAOYSA-N
- SMILES
- NC(CCSCC(N)C(O)=O)C(O)=O
- CAS DataBase Reference
- 535 · 535-34-2
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 26 · NA.26
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
UsesAmino acid; [Merck Index]
Applications
UsesIntermediate in transsulfuration whereby the mammal transfers the sulfur of methionine via homocysteine to cysteine
UsesIntermediate for transsulfuration whereby a mammal transfers the sulfur of methionine via homocysteine to cysteine.
Suppliers29 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
常州非凡医药科技有限公司0519-82111935 15195055733 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: A modified amino acid generated by enzymic means from homocysteine and serine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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