Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:05 UTC
Update Date2025-03-21 18:35:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105634
Frequency25.6
Structure
Chemical FormulaC22H29N7O6
Molecular Mass487.2179
SMILESCN1c2c(nc(N)[nH]c2=O)NCC1CNc1ccc(C(=O)NC(CCC(=O)O)CCC(=O)O)cc1
InChI KeyNYRBCWIZRJDMAI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass pterins and derivatives
Direct Parent pterins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • amino fatty acids
  • azacyclic compounds
  • benzamides
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkylarylamines
  • dicarboxylic acids and derivatives
  • gamma amino acids and derivatives
  • heteroaromatic compounds
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • imidolactams
  • lactams
  • medium-chain fatty acids
  • organic oxides
  • organopnictogen compounds
  • phenylalkylamines
  • primary amines
  • pyrimidones
  • secondary alkylarylamines
  • secondary carboxylic acid amides
  • vinylogous amides
  • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • heterocyclic fatty acid
  • gamma amino acid or derivatives
  • benzoyl
  • fatty acid
  • pyrimidone
  • carboxylic acid derivative
  • benzamide
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • dialkylarylamine
  • imidolactam
  • tertiary amine
  • vinylogous amide
  • pterin
  • azacycle
  • heteroaromatic compound
  • benzoic acid or derivatives
  • secondary amine
  • carboxamide group
  • amino fatty acid
  • secondary aliphatic/aromatic amine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound