Malonyl coenzyme A lithium salt
PubChem CID: 869
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| Compound Synonyms | Malonyl coenzyme A lithium salt, UNII-LNB9YCJ9F9, SCHEMBL2125762, DTXSID30862113, Q424593, 1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14,19-pentaoxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphahenicosan-21-oic acid |
|---|---|
| Topological Polar Surface Area | 426.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Inchi Key | LTYOQGRJFJAKNA-UHFFFAOYSA-N |
| Rotatable Bond Count | 22.0 |
| State | Solid |
| Substituent Name | Coenzyme a or derivatives, Purine ribonucleoside diphosphate, Purine ribonucleoside 3',5'-bisphosphate, N-glycosyl compound, Glycosyl compound, Organic pyrophosphate, Monosaccharide phosphate, 6-aminopurine, Purine, Imidazopyrimidine, Monoalkyl phosphate, Aminopyrimidine, Imidolactam, Alkyl phosphate, 1,3-dicarbonyl compound, Pyrimidine, Primary aromatic amine, Phosphoric acid ester, Organic phosphoric acid derivative, Organic phosphate, N-substituted imidazole, Monosaccharide, Saccharide, Heteroaromatic compound, Oxolane, Imidazole, Azole, Thiocarboxylic acid ester, Secondary alcohol, Oxacycle, Azacycle, Organoheterocyclic compound, Organic 1,3-dipolar compound, Propargyl-type 1,3-dipolar organic compound, Sulfenyl compound, Thioether, Thiocarboxylic acid or derivatives, Monocarboxylic acid or derivatives, Ether, Carboxylic acid, Carboxylic acid derivative, Carboximidic acid derivative, Carboximidic acid, Hydrocarbon derivative, Primary amine, Organosulfur compound, Organooxygen compound, Organonitrogen compound, Carbonyl group, Amine, Alcohol, Aromatic heteropolycyclic compound |
| Synonyms | (24AFH)-stigmasta-5,22t-dien-3b-ol, (24X)-ethylcholesta-5,22-dien-3b-ol, (24XH)-stigmasta-5,22t-dien-3b-ol, 17-(4-Ethyl-1,5-dimethyl-hex-2-enyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol, 24AFH-stigmasta-5,22t-dien-3b-ol, 24X-24-ethylcholest-5,22-dien-3b-ol, 5,22-Cholestadien-24-ethyl-3b-ol, 5,22-Cholestadien-24-ethyl-3β-ol, Coenzyme a, s-(hydrogen propanedioate), Malonyl coenzyme a, Malonyl-coa, Malonyl-coenzyme a, Omega-carboxyacyl-coa, Omega-carboxyacyl-coenzyme a, rac-(24XH)-stigmasta-5,22t-dien-3b-ol, S-(hydrogen malonyl)coenzyme a, S-(hydrogen propanedioate, S-(hydrogen propanedioate) coa, S-(hydrogen propanedioate) coenzyme a, S-(hydrogen propanedioic acid, Stigmasta-5,22-dien-3b-ol, Stigmasta-5,22-dien-3β-ol, Stigmasta-5,22t-dien-3b-ol, β-stigmasterol |
| Heavy Atom Count | 54.0 |
| Compound Name | Malonyl coenzyme A lithium salt |
| Kingdom | Organic compounds |
| Description | A coenzyme A derivative which plays a key role in the fatty acid synthesis in the cytoplasmic and microsomal systems., Malonyl-CoA is a coenzyme A derivative., Malonyl-CoA is a highly-regulated molecule in fatty acid synthesis, as such, it inhibits the rate-limiting step in beta-oxidation of fatty acids. Malonyl CoA inhibits fatty acids from associating with carnitine, thereby preventing them from entering the mitochondria where fatty acid oxidation and degradation occur. Malonyl CoA is found in sorghum. |
| Exact Mass | 853.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 853.116 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1490.0 |
| Hydrogen Bond Acceptor Count | 24.0 |
| Molecular Weight | 853.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Enzyme Uniprot Id | O95822, P49327 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxopropanoic acid |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Fatty Acyls |
| Inchi | InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41) |
| Smiles | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O |
| Xlogp | -5.9 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Fatty acyl thioesters |
| Molecular Formula | C24H38N7O19P3S |
- 1. Outgoing r'ship
FOUND_INto/from Sorghum Bicolor (Plant) Rel Props:Source_db:fooddb_chem_all