Acetyl CoA

Acetyl-CoA (acetyl coenzyme A) plays an essential role in intermediate metabolism via the citric acid cycle and in fatty acid synthesis along with other metabolic reactions with proteins. Futhermore, the acetylation pathway of CoA is routed by the available amount of various carbon sources. Its molecular structure consists of an acetyl group (CH3-C=O-) and coenzyme A that consists of β-mercaptoethylamine linked to pantothenic acid through a phosphodiester bond that connects the thiol group of CoA to the carbonyl carbon of the acetyl group.

A molecular model of Acetyl CoA in the Molymod Hybrid Dome style uses the atoms & bonds in the parts list below. Our free 3D Molecular Model Builder shows other styles & allows for image rotation as an assembly guide.

Chemical data
Molecular Weight Chemical Formula
809.5712 C23H38N7O17P3S

Acetyl CoA molecular model built with Molymod Atoms & Bonds

Hybrid Dome
62053
Open Sphere
62009
Orbit Basic
68845NV
Orbit Flexible
68827W 68847W
Parts Synonyms
Parts
P/NDescriptionQTY
60103EAtom, Molymod, red (oxygen), 1 hole, 20mm3
60150EAtom, Molymod, white (hydrogen), hemisphere, 19mm38
60200EAtom, Molymod, red (oxygen), 2 hole, 105 degrees14
60201EAtom, Molymod, yellow (sulfur), 2 hole, 105 degrees, 23mm1
60311EAtom, Molymod, blue (nitrogen), 3 hole, 120 degrees, 23mm4
60400EAtom, Molymod, black (carbon), 4 hole, 109.5 degrees, 23mm23
60401EAtom, Molymod, blue (nitrogen), 4 hole, 109.5 deg., 23mm3
60407EAtom, Molymod, purple (phosphorus), 4 hole, 109.5 deg., 23mm3
61012EBond, Molymod, grey (single), 20mm46
61013EBond, Molymod, grey (double/triple), 35mm14
61015EBond, Molymod, opaque, 2mm (for spacefilling models)38
Synonyms
IUPAC Name: 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] ethanethioate , 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 , InChIKey: ZSLZBFCDCINBPY-KMYLAXNMSA-N , 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 ,