glutaryl-CoA

Chemical Formula:

C₂₆H₃₇N₇O₁₉P₃S

Molecular Weight:

876.595 Daltons

Monoisotopic Mass:

881.1469024244999 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCC(=O)[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/C26H42N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h12-14,19-21,25,38-39H,3-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/t14-,19-,20-,21+,25-/m1/s1

InChIKey:

SYKWLIJQEHRDNH-CKRMAKSASA-I

Synonyms

glutaryl-coenzyme A
4-carboxybutanoyl-CoA

Databases

MetaCyc: GLUTARYL-COA

RefMet: Glutaryl-CoA

PubChem (CID): 45266604 3081383

MetaboLights: MTBLC57378

ChEBI: 57378

HMDB: HMDB01339

KEGG: C00527

Reactome: 70955

Seed: cpd00413

MetaNetX: MNXM382