Coenzyme A, S-(2-tetradecyloxiranecarboxylate), (R)-

CAS Registry Number®

92142-38-6

CAS Name

Coenzyme A, S-(2-tetradecyloxiranecarboxylate), (R)-

Molecular Formula

C38H66N7O18P3S

Molecular Mass

1033.95

Cite this Page

Coenzyme A, S-(2-tetradecyloxiranecarboxylate), (R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=92142-38-6 (retrieved 2024-11-23) (CAS RN: 92142-38-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-38(23-58-38)36(50)67-20-19-40-27(46)16-18-41-34(49)31(48)37(2,3)22-60-66(56,57)63-65(54,55)59-21-26-30(62-64(51,52)53)29(47)35(61-26)45-25-44-28-32(39)42-24-43-33(28)45/h24-26,29-31,35,47-48H,4-23H2,1-3H3,(H,40,46)(H,41,49)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t26-,29-,30-,31+,35-,38-/m1/s1

InChIKey

InChIKey=FMDHVJHZLDKFHK-MIDIULSISA-N

SMILES

C(SCCNC(CCNC([C@@H](C(COP(OP(OC[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O1)N2C=3C(N=C2)=C(N)N=CN3)(=O)O)(=O)O)(C)C)O)=O)=O)(=O)[C@@]4(CCCCCCCCCCCCCC)CO4

Canonical SMILES

O=C(NCCSC(=O)C1(OC1)CCCCCCCCCCCCCC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC=4C(=NC=NC43)N)C(O)C2OP(=O)(O)O

Other Names for this Substance

  • Coenzyme A, S-(2-tetradecyloxiranecarboxylate), (R)-

Deleted or Replaced CAS Registry Numbers

108050-59-5

CAS INSIGHTSTM
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