Dodecanoyl Coenzyme A free acid
CAS number: 6244-92-4
Synonyms:
Dodecanoyl-coenzyme A, Lauryl-CoA, Lauroyl-CoA, Coenzyme A, S-laurate, Dodecanoyl-CoA, Dodecanethioic acid
Identifiers
CAS Index Name:
Coenzyme A, S-dodecanoate
Molecular formula:
C33H58N7O17P3S
Molecular weight:
949.84
Lipid number:
C12:0 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)CCCCCCCCCCC
Isomeric Smiles:
OC1C(N2C=3C(N=C2)=C(N)N=CN3)OC(COP(OP(OCC(C(C(NCCC(NCCSC(CCCCCCCCCCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)C1OP(=O)(O)O
InChI:
InChI=1S/C33H58N7O17P3S/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)/t22-,26-,27-,28+,32-/m1/s1
InChIKey:
InChIKey=YMCXGHLSVALICC-GMHMEAMDSA-N
Product information
Purity:
>95%
Storage:
Freezer
Supplied as:
Neat
Physical state:
Solid
Documentation:
Certificate of Analysis
MSDS:
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