DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:23:23 UTC
Update Date	2025-03-25 01:02:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02254746
Frequency	0.5
Structure
Chemical Formula	C₂₆H₄₆N₂O₄
Molecular Mass	450.3458
SMILES	CC12CCC(O)CC1CCC1C2CCC2(C)C1CCC2(O)CNCCCCC(N)C(=O)O
InChI Key	FPAPGJMLOPHSNI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	steroids and steroid derivatives
Subclass	androstane steroids
Direct Parent	androgens and derivatives
Geometric Descriptor	aliphatic homopolycyclic compounds
Alternative Parents	17-hydroxysteroids 3-hydroxysteroids alkaloids and derivatives alpha amino acids amino acids amino fatty acids azasteroids and derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids cyclic alcohols and derivatives dialkylamines hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds pregnane-type alkaloids secondary alcohols tertiary alcohols
Substituents	fatty acyl carbocyclic fatty acid carbonyl group carboxylic acid androgen-skeleton amino acid or derivatives amino acid fatty acid alpha-amino acid or derivatives carboxylic acid derivative medium-chain hydroxy acid pregnane-type alkaloid aliphatic homopolycyclic compound organic oxide azasteroid organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid 17-hydroxysteroid alcohol secondary aliphatic amine 3-hydroxysteroid hydroxysteroid cyclic alcohol secondary amine amino fatty acid steroidal alkaloid tertiary alcohol monocarboxylic acid or derivatives alkaloid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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