4-methyl-3-oxoadipyl-CoA

Chemical Formula:

C₂₈H₃₉N₇O₂₀P₃S

Molecular Weight:

918.632 Daltons

Monoisotopic Mass:

923.1574671108 Daltons

SMILES:

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

InChI:

1S/C28H44N7O20P3S/c1-14(8-18(38)39)15(36)9-19(40)59-7-6-30-17(37)4-5-31-26(43)23(42)28(2,3)11-52-58(49,50)55-57(47,48)51-10-16-22(54-56(44,45)46)21(41)27(53-16)35-13-34-20-24(29)32-12-33-25(20)35/h12-14,16,21-23,27,41-42H,4-11H2,1-3H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/p-5/t14?,16-,21-,22-,23+,27-/m1/s1

InChIKey:

OWLTYHQJECVUBE-RXHYMOQPSA-I

Synonyms

4-methyl-3-ketoadipyl-CoA
4-methyl-β-ketoadipyl-CoA

Databases

MetaCyc: CPD-10832

PubChem (CID): 90658180

MetaNetX: MNXM8146