DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:36 UTC
Update Date	2025-03-25 00:48:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168397
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₇N₂O₂₁P₅
Molecular Mass	677.9794
SMILES	CC(C)C(N)C(=O)NC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O
InChI Key	IQHXBPBMRXUODD-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	valine and derivatives
Geometric Descriptor	aliphatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids and derivatives cyclitols and derivatives hydrocarbon derivatives monoalkyl phosphates monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide valine or derivatives cyclitol or derivatives carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate aliphatic homomonocyclic compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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