Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 23:01:04 UTC
Update Date2022-08-31 06:23:45 UTC
Metabolite IDMMDBc0005388
Metabolite Identification
Common NameCoenzyme F420
DescriptionSCHEMBL16018850 belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Based on a literature review very few articles have been published on SCHEMBL16018850.
Structure
SynonymsNot Available
Molecular FormulaC29H36N5O18P
Average Mass773.598
Monoisotopic Mass773.179296337
IUPAC Name2-[(4-carboxy-4-{[2-({[(5-{2,4-dihydroxy-8-oxo-8H,10H-pyrimido[4,5-b]quinolin-10-yl}-2,3,4-trihydroxypentyl)oxy](hydroxy)phosphoryl}oxy)-1-hydroxypropylidene]amino}-1-hydroxybutylidene)amino]pentanedioic acid
Traditional Name2-({4-carboxy-4-[(2-{[(5-{2,4-dihydroxy-8-oxopyrimido[4,5-b]quinolin-10-yl}-2,3,4-trihydroxypentyl)oxy(hydroxy)phosphoryl]oxy}-1-hydroxypropylidene)amino]-1-hydroxybutylidene}amino)pentanedioic acid
CAS Registry NumberNot Available
SMILES
CC(OP(O)(=O)OCC(O)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C1N=C(O)N=C2O)C(O)=NC(CCC(O)=NC(CCC(O)=O)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9,12,16-17,19-20,23,36-37,41H,4-7,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H2,32,33,43,48)
InChI KeyXXFFZHQKSZLLIT-UHFFFAOYSA-N