Coenzyme A, S-(hydrogen pentanedioate), dilithium salt
CAS Registry Number®
CAS Name
Coenzyme A, S-(hydrogen pentanedioate), dilithium saltMolecular Formula
C26H42N7O19P3S.2LiCite 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 ) (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@H](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.[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