Stearoyl-CoA

CAS Registry Number®

362-66-3
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CAS Name

Stearoyl-CoA

Molecular Formula

C39H70N7O17P3S

Molecular Mass

1034.00

Cite this Page

Stearoyl-CoA.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=362-66-3 (retrieved 2024-04-20) (CAS RN: 362-66-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/t28-,32-,33-,34+,38-/m1/s1

InChIKey

InChIKey=SIARJEKBADXQJG-LFZQUHGESA-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(CCCCCCCCCCCCCCCCC)=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)CCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Coenzyme A, S-octadecanoate
  • Coenzyme A, S-stearate
  • Stearoyl coenzyme A
  • Stearyl coenzyme A
  • Stearoyl-CoA

View All

Deleted or Replaced CAS Registry Numbers

2420-74-8, 1400988-61-5

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