Basic information
- CAS
3130-72-1- Standard SMILES
CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(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- InChIKey
DUAFKXOFBZQTQE-XVDJLSDJSA-N- Molecular formula
- C35H62N7O17P3S
- Average molar mass
- 977.9 g/mol
- Monoisotopic mass
- 977.3135757
Overview
Tetradecanoyl-CoA is a metabolite found in or produced by Saccharomyces cerevisiae.
Names & identifiers
- Preferred name
- Myristoyl-coenzyme A
- IUPAC
- S-[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]ethyl] tetradecanethioate
- English name
- MYRISTOYL COENZYME A MONOHYDRATE*
- Molecular formula
- C35H62N7O17P3S
- Molecular weight
- 977.89
Names & synonyms
Myristoyl-coenzyme AS-[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]ethyl] tetradecanethioateCoenzyme A, S-tetradecanoateC35H62N7O17P3STetradecanoyl CoAMFCD00871327Myristyl coenzyme An-Tetradecanoyl-CoAn-C14:0coenzyme ATetradecanoyl-coenzyme ACHEMBL1949899SCHEMBL20267919
Show more names
Tetradecanoyl-CoAMyristyl-CoAMYRISTOYL-COAMyristoyl-CoA-sodium-salts-tetradecanoyl-coenzymeaTetradecanoyl coenzyme ATetradecanoyl Coenzyme A free acidcoenzyme A myristoyl derivative, monohydrate
SCHEMBL29652047DTXSID00953340MYRISTOYL COENZYME A MONOHYDRATE*Tetradecanethioic acid, S-ester with coenzyme AS-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] tetradecanethioateS-{1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} tetradecanethioate
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 389 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 32
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,590
Experimental & physicochemical properties
Physical DescriptionSolid
Collision Cross Section289.9 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physicochemical properties
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- storage temp.
- 0 °C · Store at 0°C
- pka
- 1.16 · 1.16±0.50(Predicted)
- Safety Statements
- 22 · 22-24/25
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
- safety_code
- 22-24/25
Chemistry & industry
Pharmacology
Tissue LocationsFibroblasts
Cellular LocationsExtracellular
Metabolite PathwaysAdrenoleukodystrophy, X-linked
Applications
UsesMyristoyl coenzyme A is a myristoylated coenzyme A (CoA). Myristoylation is an essential process in viruses and is generally controlled by N-myristoyltransferase (NMT). And NMT is more active in colon epithelial tumors than in normal cells. Reduced Ccoenzyme A (CoA) is known to be a key regulator of NMT activity, whereas oxidized CoA does not allow NMT to promote myristoylation. Myristoyl coenzyme A blocks the demyristoylation process and has potential anticancer and antiviral mechanisms.
Suppliers12 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Creative Enzymes1-516-855-7709 · [email protected]
BOC Sciences[email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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