Coenzyme A, S-[(2S)-3-hydroxy-2-methylpropanoate]
CAS Registry Number®
319440-43-2
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CAS Name
Coenzyme A, S-[(2S)-3-hydroxy-2-methylpropanoate]Molecular Formula
C25H42N7O18P3SMolecular Mass
853.62Cite this Page
Coenzyme A, S-[(2S)-3-hydroxy-2-methylpropanoate]. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=319440-43-2 (retrieved ) (CAS RN: 319440-43-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,17+,18+,19-,23+/m0/s1
InChIKey
InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-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([C@H](CO)C)=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)C(C)CO
Other Names for this Substance
- Coenzyme A, S-[(2S)-3-hydroxy-2-methylpropanoate]
- (S)-3-Hydroxyisobutyryl-CoA
