DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:09 UTC
Update Date	2025-03-25 00:49:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171949
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₈N₄O₇
Molecular Mass	364.1958
SMILES	CN=C(NC)NCCCC(NCC1(O)OC(CO)C(O)C1O)C(=O)O
InChI Key	LMEYOTDZNSURNR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	arginine and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids carbonyl compounds carboximidamides carboxylic acids dialkylamines guanidines hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imines monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds primary alcohols propargyl-type 1,3-dipolar organic compounds secondary alcohols short-chain hydroxy acids and derivatives tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid heterocyclic fatty acid guanidine imine monosaccharide fatty acid propargyl-type 1,3-dipolar organic compound saccharide organic oxide arginine or derivatives aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal hydroxy fatty acid primary alcohol organoheterocyclic compound alcohol secondary aliphatic amine tetrahydrofuran organic 1,3-dipolar compound carboximidamide secondary amine oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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