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ortho-Succinylbenzoyl-CoA (Synonyms:2-succinylbenzoyl-coenzyme A;ortho-Succinylbenzoyl-coa)
Catalog No. : FM627 Purity : BR/95%以上 Brand : CHEMSOON Cas No. : 72471-59-1 PubChem Id : 956
ortho-Succinylbenzoyl-CoA
Cas No. : 72471-59-1
Specification No. Purity Package Inventory Price
FM627-2mg BR/95%以上 2mg
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FM627-5mg BR/95%以上 5mg
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Product Name: ortho-Succinylbenzoyl-CoA
Other Names: 2-succinylbenzoyl-coenzyme A;ortho-Succinylbenzoyl-coa
CAS:72471-59-1
Structural Information
Molecular Formula C32H44N7O20P3S Molecular Weight 971.71
IUPAC Name  S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-phenylethanethioate
InChIKey  ZIGIFDRJFZYEEQ-UHFFFAOYSA-N
InChI  InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)
SMILES  CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC4=CC=CC=C4)O
Literature

1.Synthesis, analysis and characterization of the coenzyme A esters o-succinylbenzoic acid, an intermediate in vitamin K2 (menaquinone) biosynthesis. Kolkmann, Rainer and Leistner, Eckhard. Zeitschrift fuer Naturforschung, C: Journal of Biosciences, 42(5), 542-52; 1987

2.Synthesis and revised structure of the o-succinylbenzoic acid coenzyme A ester, an intermediate in menaquinone biosynthesis. Kolkmann, R. and Leistner, E.. Tetrahedron Letters, 26(14), 1703-4; 1985