22-carboxy-docosanoyl-CoA

Chemical Formula:

C₄₃H₇₁N₇O₁₉P₃S

Molecular Weight:

1115.051 Daltons

Monoisotopic Mass:

1119.4129535159002 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)[O-])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/C43H76N7O19P3S/c1-43(2,28-66-72(63,64)69-71(61,62)65-27-31-37(68-70(58,59)60)36(55)42(67-31)50-30-49-35-39(44)47-29-48-40(35)50)38(56)41(57)46-24-23-32(51)45-25-26-73-34(54)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-33(52)53/h29-31,36-38,42,55-56H,3-28H2,1-2H3,(H,45,51)(H,46,57)(H,52,53)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/p-5/t31-,36-,37-,38+,42-/m1/s1

InChIKey:

YFVKVAPATGWZOF-RMCJPFTISA-I

Synonyms

C22:0-DCA-CoA
docosanedioyl coenzyme A
docosanedioic acid-CoA
docosanedioyl-CoA

Databases

MetaCyc: CPD-14775

PubChem (CID): 90657401

MetaNetX: MNXM114655