C37-phthioceranyl-CoA

Chemical Formula:

C₅₈H₁₀₄N₇O₁₇P₃S

Molecular Weight:

1296.478 Daltons

Monoisotopic Mass:

1299.6735252989001 Daltons

SMILES:

CCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(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-])=O

InChI:

1S/C58H108N7O17P3S/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-40(2)30-41(3)31-42(4)32-43(5)33-44(6)34-45(7)35-46(8)57(70)86-29-28-60-48(66)26-27-61-55(69)52(68)58(9,10)37-79-85(76,77)82-84(74,75)78-36-47-51(81-83(71,72)73)50(67)56(80-47)65-39-64-49-53(59)62-38-63-54(49)65/h38-47,50-52,56,67-68H,11-37H2,1-10H3,(H,60,66)(H,61,69)(H,74,75)(H,76,77)(H2,59,62,63)(H2,71,72,73)/p-4/t40-,41-,42-,43-,44-,45-,46-,47+,50+,51+,52-,56+/m0/s1

InChIKey:

VIPSJCWVUJJCJS-VJJNIQGZSA-J

Synonyms

2,4,6,8,10,12,14-heptamethyl-triacontanoyl-CoA

Databases

MetaCyc: CPD-18596

PubChem (CID): 122706508