Coenzyme A,S-dodecanoate lithium salt
[CAS# 190063-12-8]

Identification

• Name: Coenzyme A,S-dodecanoate lithium salt
• Synonyms: Dodecanoyl-Coenzyme A lithium salt; Lauroyl coenzyme A lithium salt; L2659_SIGMA
• Molecular Formula: C₃₃H₅₇LiN₇O₁₇P₃S
• Molecular Weight: 955.77
• CAS Registry Number: 190063-12-8
• SMILES: [Li+].O=C(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP(=O)(O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3OP(=O)(O)O)CCCCCCCCCCC
• InChI: 1S/C33H58N7O17P3S.Li/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40;/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48);/q;+1/p-1/t22-,26-,27-,28+,32-;/m1./s1
• InChIKey: FWNUZMNRIPYTPZ-CDSRRKEDSA-M

Properties

• Refractive index: (Cal.)