CAS: 72-89-9 - S-acetylcoenzyme A

Formula: C₂₃H₃₈N₇O₁₇P₃S

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: InChIKey=ZSLZBFCDCINBPY-ZSJPKINUSA-N

SMILES: O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)C

Synonyms:

• Acetyl coenzyme A
• S-Acetyl coenzyme A
• Coenzyme A, S-acetate
• S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate (non-preferred name)
• S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate (non-preferred name)
• Acetyl CoA
• S-acetilcoenzima A
• S-Acetylcoenzym A

Acetyl coenzyme A

CAS: 72-89-9

Acetyl-CoA: key in TCA cycle, oxidative phosphorylation, lipid synthesis, and protein acetylation.

• Formula: C₂₃H₃₈N₇O₁₇P₃S
• Color and Shape: Solid
• Molecular weight: 809.57

Acetyl Coenzyme A

CAS: 72-89-9

• Formula: C₂₃H₃₈N₇O₁₇P₃S
• Molecular weight: 809.57