S-​15-​hexadecanoate-Coenzyme A | CAS No. 1941173-52-9

Basic Information

S-​15-​hexadecanoate-Coenzyme A

CAS Number

1941173-52-9

Molecular Formula

C37H62N7O17P3S

Molecular Weight

1001.91 g/mol

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Basic Physical Properties

SMILES

O[C@@H]1[C@@H]([C@@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCC#C)O[C@H]1N1C=NC2=C(N=CN=C12)N)OP(O)(O)=O

InChI

1S/C37H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h1,24-26,30-32,36,47-48H,5-23H2,2-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1

InChIKey

GZHUDOCZNCSRDF-BBECNAHFSA-N

Classification & Uses

Safety Information

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Synonyms & References

English

    CAS Number

    1941173-52-9

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