72-89-9 , Acetyl coenzyme A trilithium salt trihydrate;Acetyl CoALi3 . 3H2O
C23H35N7O17P3S·3Li·3H2O / 881.42
Acetyl-CoA, also known as acetyl coenzyme A or accoa, belongs to the class of organic compounds known as acyl coas. These are organic compounds containing a coenzyme A substructure linked to an acyl chain. Thus, acetyl-CoA is considered to be a fatty ester lipid molecule. Acetyl-CoA is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). Acetyl-CoA has been found throughout most human tissues, and has also been primarily detected in urine. Acetyl-CoA can be found anywhere throughout the human cell, such as in mitochondria, cytoplasm, golgi, and endoplasmic reticulum. Acetyl-CoA exists in all eukaryotes, ranging from yeast to humans. Acetyl-CoA and glucosamine 6-phosphate can be converted into N-acetyl-D-glucosamine 6-phosphate; which is mediated by the enzyme glucosamine 6-phosphate N-acetyltransferase. In humans, acetyl-CoA is involved in the lovastatin action pathway, the Beta-alanine metabolism pathway, the oxidation OF branched chain fatty acids pathway, and the citric Acid cycle pathway. Acetyl-CoA is also involved in several metabolic disorders, some of which include 4-hydroxybutyric aciduria/succinic semialdehyde dehydrogenase deficiency, the NON ketotic hyperglycinemia pathway, pyruvate dehydrogenase deficiency (e2), and the primary hyperoxaluria II, PH2 pathway.
Acetyl-CoA is an acyl-CoA having acetyl as its S-acetyl component. It has a role as an effector, a coenzyme, an acyl donor and a fundamental metabolite. It derives from an acetic acid and a coenzyme A. It is a conjugate acid of an acetyl-CoA(4-).
Acetyl CoA participates in the biosynthesis of fatty acids and sterols, in the oxidation of fatty acids and in the metabolism of many amino acids. It also acts as a biological acetylating agent.
CAS Number | 72-89-9 |
Product Name | Acetyl coenzyme A |
IUPAC Name | S-[2-[3-[[(2R)-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] ethanethioate |
Molecular Formula | C23-H38-N7-O17-P3-S |
Molecular Weight | 809.6 g/mol |
InChI | InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1 |
InChI Key | ZSLZBFCDCINBPY-ZSJPKINUSA-N |
SMILES | CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n2cnc3c(N)ncnc23 |
Synonyms | Acetyl CoA, Acetyl Coenzyme A, Acetyl-CoA, CoA, Acetyl, Coenzyme A, Acetyl |
Canonical SMILES | CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
Isomeric SMILES | CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
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