4-Amino-5-({1-[(carboxymethyl)imino]-1-hydroxy-3-[(2-oxopropanoyl)sulfanyl]propan-2-yl}imino)-5-hydroxypentanoic acid
Basic information
- CAS
54398-03-7- Standard SMILES
CC(=O)C(=O)SC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O- InChIKey
DLBGKCIHDLHLDZ-YUMQZZPRSA-N- Molecular formula
- C13H19N3O8S
- Average molar mass
- 377.37 g/mol
- Monoisotopic mass
- 377.08928575
Overview
See also: S-Pyruvylglutathione (annotation moved to).
Names & identifiers
- Preferred name
- 4-Amino-5-({1-[(carboxymethyl)imino]-1-hydroxy-3-[(2-oxopropanoyl)sulfanyl]propan-2-yl}imino)-5-hydroxypentanoic acid
- IUPAC
- (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(2-oxopropanoylsulfanyl)propan-2-yl]amino]-5-oxopentanoic acid
- English name
- S-(Lactoyl)glutathione
- Molecular formula
- C13H19N3O8S
- Molecular weight
- 377.37
Names & synonyms
DTXSID10969518(4S)-4-Amino-5-({(2R)-1-[(carboxymethyl)imino]-1-hydroxy-3-[(2-oxopropanoyl)sulfanyl]propan-2-yl}imino)-5-hydroxypentanoic acid4-Amino-5-({1-[(carboxymethyl)imino]-1-hydroxy-3-[(2-oxopropanoyl)sulfanyl]propan-2-yl}imino)-5-hydroxypentanoic acidSLGS-pyruvylglutathioneS-LactosylglutathioneS-(Lactoyl)glutathioneS-Lactoylglutathione【L7140】S-(lactoyl)glutathione free acidS-Lactoylglutathione >=90% (TLC)N-[S-(1,2-Dioxopropyl)-N-L-γ-glutamyl-L-cysteinyl]-glycineN-[S-(1,2-Dioxopropyl)-N-L-gamma-glutamyl-L-cysteinyl]glycine
Show more names
(S)-2-aMino-5-(((R)-1-((carboxyMethyl)aMino)-3-(((S)-2-hydroxypropanoyl)thio)-1-oxopropan-2-yl)aMino)-5-oxopentanoic acid
Properties
Computed structural properties
- XLogP
- -4.5
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 565
Physicochemical properties
- Boiling point
- 770.516 · 770.516±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.469 · 1.469±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- form
- powder
- pka
- 2.212 · 2.212±0.10(predicted)
- color
- white
- Major Application
- detection
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- InChI
- 1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7-,8-/m0/s1
- InChIKey
- VDYDCVUWILIYQF-FXQIFTODSA-N
- SMILES
- C[C@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
- FDA UNII
- 76 XF39H · JLC76XF39H
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 26 · NA.26
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Usesdetection
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…