DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:52 UTC
Update Date	2025-03-25 00:59:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237528
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₄N₅O₁₃P
Molecular Mass	525.1108
SMILES	Nc1c(C(=O)NC(CC(=O)O)C(=O)NCCC(=O)O)ncn1C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	HHSRVRUONNKWFN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid glycopeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols 1-ribosyl-imidazolecarboxamides 2-heteroaryl carboxamides alpha amino acid amides alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds beta amino acids and derivatives carbonyl compounds carbonylimidazoles carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monosaccharides n-acyl amines n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carboxylic acid amino acid or derivatives monosaccharide pentose-5-phosphate alpha-amino acid or derivatives 2-heteroaryl carboxamide saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound 1,2-diol n-acyl-alpha amino acid or derivatives alcohol vinylogous amide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound n-substituted-alpha-amino acid secondary carboxylic acid amide monoalkyl phosphate hybrid glycopeptide aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine fatty acyl carbonyl group imidazole ribonucleoside aromatic heteromonocyclic compound pentose phosphate amino acid fatty amide carboxylic acid derivative organic oxide imidazole organopnictogen compound imidazole-4-carbonyl group azole n-substituted imidazole tetrahydrofuran carboxamide group n-acyl-amine beta amino acid or derivatives 1-ribosyl-imidazolecarboxamide oxacycle organic oxygen compound phosphoric acid ester secondary alcohol organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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