HMG-CoA

CAS Registry Number®

1553-55-5
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CAS Name

HMG-CoA

Molecular Formula

C27H44N7O20P3S

Molecular Mass

911.66

Cite this Page

HMG-CoA.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1553-55-5 (retrieved 2024-04-19) (CAS RN: 1553-55-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,19-,20-,21+,25-,27?/m1/s1

InChIKey

InChIKey=CABVTRNMFUVUDM-SJBCKIPMSA-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(CC(CC(O)=O)(C)O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O

Canonical SMILES

O=C(O)CC(O)(C)CC(=O)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

Other Names for this Substance

  • Coenzyme A, S-(hydrogen 3-hydroxy-3-methylpentanedioate)
  • Coenzyme A, S-(hydrogen 3-hydroxy-3-methylglutarate)
  • β-Hydroxy-β-methylglutaryl-coenzyme A
  • β-Hydroxy-β-methylglutaryl CoA
  • 3-Hydroxy-3-methylglutaryl CoA

Deleted or Replaced CAS Registry Numbers

13351-03-6, 25828-49-3

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