Coenzyme A, S-[4-(acetylamino)butanoate]
CAS Registry Number®
74833-91-3
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CAS Name
Coenzyme A, S-[4-(acetylamino)butanoate]Molecular Formula
C27H45N8O18P3SMolecular Mass
894.68Cite this Page
Coenzyme A, S-[4-(acetylamino)butanoate]. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=74833-91-3 (retrieved ) (CAS RN: 74833-91-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H45N8O18P3S/c1-15(36)29-7-4-5-18(38)57-10-9-30-17(37)6-8-31-25(41)22(40)27(2,3)12-50-56(47,48)53-55(45,46)49-11-16-21(52-54(42,43)44)20(39)26(51-16)35-14-34-19-23(28)32-13-33-24(19)35/h13-14,16,20-22,26,39-40H,4-12H2,1-3H3,(H,29,36)(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,28,32,33)(H2,42,43,44)/t16-,20-,21-,22+,26-/m1/s1
InChIKey
InChIKey=UEKGDRAHBCQADD-HDRQGHTBSA-N
SMILES
O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(CCCNC(C)=O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Canonical 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)CCCNC(=O)C
Other Names for this Substance
- Coenzyme A, S-[4-(acetylamino)butanoate]
- 4-Acetamidobutyryl-CoA
