12-methyltetradecanoyl-coA

Chemical Formula:

C₃₆H₆₀N₇O₁₇P₃S

Molecular Weight:

987.888 Daltons

Monoisotopic Mass:

991.3292238865 Daltons

SMILES:

CCC(C)CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]

InChI:

1S/C36H64N7O17P3S/c1-5-24(2)14-12-10-8-6-7-9-11-13-15-27(45)64-19-18-38-26(44)16-17-39-34(48)31(47)36(3,4)21-57-63(54,55)60-62(52,53)56-20-25-30(59-61(49,50)51)29(46)35(58-25)43-23-42-28-32(37)40-22-41-33(28)43/h22-25,29-31,35,46-47H,5-21H2,1-4H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/p-4/t24?,25-,29-,30-,31+,35-/m1/s1

InChIKey:

DMDFNZDSUOPLQS-ZJHONPRDSA-J

Databases

MetaCyc: CPD-20650

PubChem (CID): 131841442