Glutaryl coenzyme A
Basic information
- CAS
103192-48-9- Standard SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O- InChIKey
SYKWLIJQEHRDNH-KRPIADGTSA-N- Molecular formula
- C26H42N7O19P3S
- Average molar mass
- 881.6 g/mol
- Monoisotopic mass
- 881.1469043
Overview
Glutaryl-CoA is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- Glutaryl coenzyme A
- IUPAC
- 5-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-5-oxopentanoic acid
- English name
- GLUTARYL COENZYME A LITHIUM SALT
- Molecular formula
- C26H43LiN7O19P3S
- Molecular weight
- 889.58
Names & synonyms
Glutaryl coenzyme A103192-48-95-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-5-oxopentanoic acidGlutaryl coenzyme A Litium saltDTXSID30953358SYKWLIJQEHRDNH-KRPIADGTSA-NNS001254755'-O-[{[(4-{[3-({2-[(4-Carboxybutanoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)9-{5-O-[{[(4-{[3-({2-[(4-Carboxybutanoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amineGlutaryl-CoAGlutaryl-CoA,dilithiumsaltGLUTARYL COENZYME A LITHIUM
Show more names
GLUTARYL COENZYME A LITHIUM SALTGlutaryl coenzyme A lithium salt >=90%coenzyme A glutaryl derivative, lithium salt
Properties
Computed structural properties
- XLogP
- -5.8
- Topological polar surface area
- 426 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 24
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,530
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- form
- Solid
- color
- White to off-white
- InChIKey
- SYKWLIJQEHRDNH-KRPIADGTSA-N
- SMILES
- [Li].CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n2cnc3c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCC(O)=O
- UNSPSC Code
- 41106305 · 41106305
- NACRES
- 51 · NA.51
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-26-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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
UsesGlutaryl coenzyme A lithium salt has been used:in comparative study of acylomes of β-Hydroxy β-methylglutaryl-CoA (HMG-CoA) and glutaryl-CoA by quantitative proteomics as a component of the assay buffer for in vitro biosensor activity experiments for FapR-NLuc proteins to test its effect on pyruvate kinase activity inhibition in a549 lysate
General DescriptionGlutaryl coenzyme A (Glutaryl CoA) is an intermediate in the mitochondrial oxidation of lysine, hydroxylysine and tryptophan.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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