Coenzyme A, S-(hydrogen pentanedioate), dilithium salt

CAS Registry Number®

103192-48-9
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CAS Name

Coenzyme A, S-(hydrogen pentanedioate), dilithium salt

Molecular Formula

C26H42N7O19P3S.2Li

Cite this Page

Coenzyme A, S-(hydrogen pentanedioate), dilithium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=103192-48-9 (retrieved 2021-07-29) (CAS RN: 103192-48-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H42N7O19P3S.2Li/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33;;/h12-14,19-21,25,38-39H,3-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43);;/t14-,19-,20-,21+,25-;;/m1../s1

InChIKey

InChIKey=HBAYCDYMTYNDJV-MAABXFEPSA-N

SMILES

O[C@H]1[C@](N2C=3C(N=C2)=C(N)N=CN3)(O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(CCCC(O)=O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O)[H].[Li]

Canonical SMILES

[Li].O=C(O)CCCC(=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 pentanedioate), dilithium salt