Coenzyme A, S-(2-hydroxypropanoate)

CAS Registry Number®

1926-57-4

CAS Name

Coenzyme A, S-(2-hydroxypropanoate)

Molecular Formula

C24H40N7O18P3S

Molecular Mass

839.60

Cite this Page

Coenzyme A, S-(2-hydroxypropanoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1926-57-4 (retrieved 2024-11-22) (CAS RN: 1926-57-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,32,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12?,13-,16-,17-,18+,22-/m1/s1

InChIKey

InChIKey=VIWKEBOLLIEAIL-FBMOWMAESA-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(C)O)=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(O)C

Other Names for this Substance

  • Coenzyme A, S-(2-hydroxypropanoate)
  • Coenzyme A, S-lactate
  • Lactoyl coenzyme A
  • β-Hydroxypropionyl coenzyme A
  • Lactoyl-CoA

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration