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CAS: 473994-63-7

Name: (R)-3-hydroxy-5-phenylvaleryl CoA

IUPAC: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3R)-3-hydroxy-5-phenylpentanethioate

SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCc1ccccc1

Canonical 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)CC(CCC4=CC=CC=C4)O)O

Summenformel: C32H48N7O18P3S

Molare Masse: 943.70

InChIKey: WHLWQTUNJYXXKN-MAWALYKISA-N

InChI: InChI=1S/C32H48N7O18P3S/c1-32(2,27(44)30(45)35-11-10-22(41)34-12-13-61-23(42)14-20(40)9-8-19-6-4-3-5-7-19)16-54-60(51,52)57-59(49,50)53-15-21-26(56-58(46,47)48)25(43)31(55-21)39-18-38-24-28(33)36-17-37-29(24)39/h3-7,17-18,20-21,25-27,31,40,43-44H,8-16H2,1-2H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/t20-,21-,25-,26-,27+,31-/m1/s1

PubChem CID: 86588296 →

Synonyme

473994-63-7orb3022172SCHEMBL5575583WHLWQTUNJYXXKN-MAWALYKISA-N(R)-3-hydroxy-5-phenylvaleryl CoA(R)-3-Hydroxy-5-phenylvaleryl-CoATXB-00773

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