CAS 3546-17-6: Heptadecanoyl-CoA

Description:Heptadecanoyl-CoA, also known as heptadecanoyl coenzyme A, is a long-chain fatty acyl-CoA derivative characterized by a 17-carbon saturated fatty acid chain. It plays a crucial role in various metabolic pathways, particularly in fatty acid metabolism and energy production. The molecule consists of a heptadecanoic acid moiety linked to coenzyme A, which is essential for the activation of fatty acids prior to their oxidation or incorporation into complex lipids. Heptadecanoyl-CoA is involved in the synthesis of lipids and serves as a substrate for various enzymatic reactions, including those catalyzed by acyltransferases. Its presence is significant in cellular processes such as membrane formation and signaling. The compound is typically found in biological systems, particularly in tissues that metabolize fatty acids. As a biochemical entity, it is important for understanding metabolic disorders and the regulation of lipid metabolism. Its CAS number, 3546-17-6, is used for identification in chemical databases and regulatory contexts.

Formula:C₃₈H₆₈N₇O₁₇P₃S

InChI:InChI=1S/C38H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h25-27,31-33,37,48-49H,4-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t27-,31-,32-,33+,37-/m1/s1

InChI key:InChIKey=DRABUZIHHACUPI-DUPKZGIXSA-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)CCCCCCCCCCCCCCCC

Synonyms:
Coenzyme A, S-heptadecanoate
Coenzyme A, heptadecanoyl-
Coenzyme A, heptadecyl-
Heptadecanoyl-coa
Heptadecanoyl-coenzyme A
Heptadecyl-coa
Heptadecyl-coenzyme A
Margaroyl coenzyme A
S-{(9R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} heptadecanethioate (non-preferred name)