C27-mycolipanoyl-CoA

Chemical Formula:

C₄₈H₈₄N₇O₁₇P₃S

Molecular Weight:

1156.21 Daltons

Monoisotopic Mass:

1159.5170246569 Daltons

SMILES:

CCCCCCCCCCCCCCCCCCC(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/C48H88N7O17P3S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(2)28-35(3)29-36(4)47(60)76-27-26-50-38(56)24-25-51-45(59)42(58)48(5,6)31-69-75(66,67)72-74(64,65)68-30-37-41(71-73(61,62)63)40(57)46(70-37)55-33-54-39-43(49)52-32-53-44(39)55/h32-37,40-42,46,57-58H,7-31H2,1-6H3,(H,50,56)(H,51,59)(H,64,65)(H,66,67)(H2,49,52,53)(H2,61,62,63)/p-4/t34-,35-,36-,37+,40+,41+,42-,46+/m0/s1

InChIKey:

LDHXBVBUURJVEO-AHGXZKOZSA-J

Synonyms

2,4,6-trimethyl-tetracosyl-CoA

Databases

MetaCyc: CPD-18586

PubChem (CID): 122706534

MetaNetX: MNXM164624