β-citryl-L-glutamate

Chemical Formula:

C₁₁H₁₁NO₁₀

Molecular Weight:

317.209 Daltons

Monoisotopic Mass:

321.06959570770005 Daltons

SMILES:

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

InChI:

1S/C11H15NO10/c13-6(14)2-1-5(9(19)20)12-10(21)11(22,3-7(15)16)4-8(17)18/h5,22H,1-4H2,(H,12,21)(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-4/t5-/m0/s1

InChIKey:

GAQNUGISBQJMKO-YFKPBYRVSA-J

Databases

MetaCyc: CPD-16470

PubChem (CID): 72715786

ChEBI: 76942

HMDB: HMDB13220

MetaNetX: MNXM43787

KEGG: C20775