Valeryl-CoA

CAS Registry Number®

4752-33-4

CAS Name

Valeryl-CoA

Molecular Formula

C26H44N7O17P3S

Molecular Mass

851.65

Cite this Page

Valeryl-CoA.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4752-33-4 (retrieved 2024-11-25) (CAS RN: 4752-33-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H44N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,36-37H,4-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1

InChIKey

InChIKey=RXUATCUKICAIOA-ZMHDXICWSA-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(CCCC)=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)CCCC

Other Names for this Substance

  • Coenzyme A, S-pentanoate
  • Coenzyme A, S-valerate
  • Pentanoyl coenzyme A
  • Pentanoyl-CoA
  • Valeryl-CoA

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Deleted or Replaced CAS Registry Numbers

26014-18-6

CAS INSIGHTSTM
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