Met008937: Formylmethanofuran

Metabolite Information

Name

Formylmethanofuran

IUPAC Name

7-[[(1R)-1-carboxylato-4-[[(1R)-1-carboxylato-4-[2-[4-[[5-(formamidomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-7-oxoheptane-1,3,4-tricarboxylate

Molecular Formula

C35H39N4O16-5

Molecular Weight

771.7

Exact Mass

771.2361062

SMILES

C1=CC(=CC=C1CCNC(=O)CCC(C(=O)[O-])NC(=O)CCC(C(=O)[O-])NC(=O)CCC(C(CCC(=O)[O-])C(=O)[O-])C(=O)[O-])OCC2=COC(=C2)CNC=O

InChIKey

RGBIJPWAWLXPOC-ATEVHTGXSA-I

InChI

InChI=1S/C35H44N4O16/c40-19-36-16-23-15-21(18-55-23)17-54-22-3-1-20(2-4-22)13-14-37-28(41)10-7-26(34(50)51)39-30(43)11-8-27(35(52)53)38-29(42)9-5-24(32(46)47)25(33(48)49)6-12-31(44)45/h1-4,15,18-19,24-27H,5-14,16-17H2,(H,36,40)(H,37,41)(H,38,42)(H,39,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)/p-5/t24?,25?,26-,27-/m1/s1