(3-methylbenzyl)succinyl-CoA

Chemical Formula:

C₃₃H₄₃N₇O₁₉P₃S

Molecular Weight:

966.719 Daltons

Monoisotopic Mass:

971.1938526171 Daltons

SMILES:

CC4(=CC=CC(CC(CC(=O)[O-])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)=C4)

InChI:

1S/C33H48N7O19P3S/c1-18-5-4-6-19(11-18)12-20(13-23(42)43)32(47)63-10-9-35-22(41)7-8-36-30(46)27(45)33(2,3)15-56-62(53,54)59-61(51,52)55-14-21-26(58-60(48,49)50)25(44)31(57-21)40-17-39-24-28(34)37-16-38-29(24)40/h4-6,11,16-17,20-21,25-27,31,44-45H,7-10,12-15H2,1-3H3,(H,35,41)(H,36,46)(H,42,43)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/p-5/t20?,21-,25-,26-,27+,31-/m1/s1

InChIKey:

OQNWWRUKIDSNIG-ANHZDMDASA-I

Synonyms

3-methylbenzylsuccinyl-CoA

Databases

MetaCyc: 3-METHYLBENZYLSUCCINYL-COA

PubChem (CID): 90658008

Seed: cpd22031

MetaNetX: MNXM9416