Lignoceroyl-CoA

CAS Registry Number®

24305-30-4
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CAS Name

Lignoceroyl-CoA

Molecular Formula

C45H82N7O17P3S

Molecular Mass

1118.16

Cite this Page

Lignoceroyl-CoA.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=24305-30-4 (retrieved 2024-03-29) (CAS RN: 24305-30-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H82N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h32-34,38-40,44,55-56H,4-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/t34-,38-,39-,40+,44-/m1/s1

InChIKey

InChIKey=MOYMQYZWIUKGGY-JBKAVQFISA-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(CCCCCCCCCCCCCCCCCCCCCCC)=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)CCCCCCCCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Coenzyme A, S-tetracosanoate
  • Tetracosanethioic acid, S-ester with coenzyme A
  • Lignoceroyl coenzyme A
  • Tetracosanoyl-coenzyme A
  • Lignoceroyl-CoA

Deleted or Replaced CAS Registry Numbers

24305-32-6

CAS INSIGHTSTM
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