Coenzyme A, S-[5-hydrogen (2R)-2-hydroxypentanedioate]

CAS Registry Number®

111769-66-5
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CAS Name

Coenzyme A, S-[5-hydrogen (2R)-2-hydroxypentanedioate]

Molecular Formula

C26H42N7O20P3S

Molecular Mass

897.63

Cite this Page

Coenzyme A, S-[5-hydrogen (2R)-2-hydroxypentanedioate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=111769-66-5 (retrieved 2024-06-24) (CAS RN: 111769-66-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H42N7O20P3S/c1-26(2,20(39)23(40)29-6-5-15(35)28-7-8-57-25(41)13(34)3-4-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-19(52-54(42,43)44)18(38)24(51-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,34,38-39H,3-10H2,1-2H3,(H,28,35)(H,29,40)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,14-,18-,19-,20+,24-/m1/s1

InChIKey

InChIKey=ITRSBJZNLOYNNR-WZZMXTMRSA-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](CCC(O)=O)O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O

Canonical SMILES

O=C(O)CCC(O)C(=O)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

Other Names for this Substance

  • Coenzyme A, S-[5-hydrogen (2R)-2-hydroxypentanedioate]
  • Coenzyme A, S-(5-hydrogen 2-hydroxypentanedioate), (R)-
  • (R)-2-Hydroxyglutaryl-1-CoA
  • (R)-(2-Hydroxyglutaryl)coenzyme A

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