Cas no 143180-18-1 (coenzyme A)
coenzyme A structure
Product Name:coenzyme A
CAS No:143180-18-1
MF:C21H36N7O16P3S
MW:767.534126281738
CID:108203
Update Time:2023-08-03
coenzyme A Chemical and Physical Properties
Names and Identifiers
-
- Phosphoteric T-C 6(9CI)
- coenzyme A
- CoASH
- CoA-SH
- Zeel
- CoA
- Depot-Zeel
- HSCoA
- Coenzym A
- co-enzyme-A
- Coenzyme ASH
- Phosphoteric T-C6
- HS-CoA
- COENZYME_A
- SAA04E81UX
- 3'-phosphoadenosine-(5')diphospho(4')pantatheine
- Coenzyme A hydrate
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
- Co-A-SH
- Reduced CoA
- [(2R,3S,4R,5R)-5-(6-ami
-
- Inchi: 1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
- InChI Key: RGJOEKWQDUBAIZ-IBOSZNHHSA-N
- SMILES: SCCNC(CCNC([C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)OP(=O)(O)O)O)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 21
- Heavy Atom Count: 48
- Rotatable Bond Count: 18
- Complexity: 1270
- XLogP3: -5.8
- Topological Polar Surface Area: 348
coenzyme A Related Literature
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1. BiochemistryJ. S. D. Bacon,D. J. Bell,W. A. P. Black,G. D. Greville,D. J. Manners,H. B. Stewart Annu. Rep. Prog. Chem. 1953 50 281
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Refaat B. Hamed,Luc Henry,J. Ruben Gomez-Castellanos,Amina Asghar,Jürgen Brem,Timothy D. W. Claridge,Christopher J. Schofield Org. Biomol. Chem. 2013 11 8191
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D. S. Warner,C. Limberg,F. J. Oldenburg,B. Braun Dalton Trans. 2015 44 18378
-
Christopher T. Walsh Nat. Prod. Rep. 2020 37 100
-
Piera M. Marchetti,Van Kelly,Joanna P. Simpson,Mairi Ward,Dominic J. Campopiano Org. Biomol. Chem. 2018 16 2735
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