Heptadecanoyl Coenzyme A free acid
CAS number: 3546-17-6
Synonyms:
Heptadecanoyl coenzyme A, Margaroyl coenzyme A, Heptadecanoyl-CoA
Identifiers
CAS Index Name:
Coenzyme A, S-heptadecanoate
Molecular formula:
C38H68N7O17P3S
Molecular weight:
1019.97
Lipid number:
C17:0 CoA
Smiles:
O=C(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)CCCCCCCCCCCCCCCC
Isomeric Smiles:
OC1C(N2C=3C(N=C2)=C(N)N=CN3)OC(COP(OP(OCC(C(C(NCCC(NCCSC(CCCCCCCCCCCCCCCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)C1OP(=O)(O)O
InChI:
InChI=1S/C38H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h25-27,31-33,37,48-49H,4-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t27-,31-,32-,33+,37-/m1/s1
InChIKey:
InChIKey=DRABUZIHHACUPI-DUPKZGIXSA-N
Product information
Purity:
>95%
Storage:
Freezer
Supplied as:
Neat
Physical state:
Solid
Documentation:
Certificate of Analysis
MSDS:
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| 19-1700-4 | Heptadecanoyl Coenzyme A free acid - 5 mg | |||
| 19-1700-5 | Heptadecanoyl Coenzyme A free acid - 10 mg |
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