Hexadecanedioyl-mono-coenzyme A free acid

Product number: 19-1616
CAS number: 111278-02-5

Identifiers

CAS Index Name: Coenzyme A, S-(hydrogen hexadecanedioate)
Molecular formula: C37H64N7O19P3S
Molecular weight: 1035,93
Smiles: O=C(O)CCCCCCCCCCCCCCC(=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
Isomeric 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(CCCCCCCCCCCCCCC(O)=O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
InChI: InChI=1S/C37H64N7O19P3S/c1-37(2,32(50)35(51)40-18-17-26(45)39-19-20-67-28(48)16-14-12-10-8-6-4-3-5-7-9-11-13-15-27(46)47)22-60-66(57,58)63-65(55,56)59-21-25-31(62-64(52,53)54)30(49)36(61-25)44-24-43-29-33(38)41-23-42-34(29)44/h23-25,30-32,36,49-50H,3-22H2,1-2H3,(H,39,45)(H,40,51)(H,46,47)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/t25-,30-,31-,32+,36-/m1/s1
InChIKey: GTCSHNMTNCXODY-CCAJQFMUSA-N

Product information

Purity: >95%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Ask for MSDS

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19-1616-9Hexadecanedioyl-mono-coenzyme A free acid - 100 mg