DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:08:29 UTC
Update Date	2025-03-24 20:11:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01367613
Frequency	1.0
Structure
Chemical Formula	C₇₆H₁₄₅N₂O₁₇P
Molecular Mass	1389.0281
SMILES	CCCCCCCCCCCC(O)CC(=O)NC1C(OC(=O)CC(O)CCCCCCCCCCC)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP(=O)(O)O)C(OC(=O)CC(O)CCCCCCCCCCC)C1OC(=O)CC(O)CCCCCCCCCCC
InChI Key	GEXKJROXWACKBD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	tricarboxylic acids and derivatives
Direct Parent	tricarboxylic acids and derivatives
Geometric Descriptor	aliphatic homomonocyclic compounds
Alternative Parents	beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters cyclitols and derivatives fatty acid esters hydrocarbon derivatives monoalkyl phosphates n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group fatty amide tricarboxylic acid or derivatives beta-hydroxy acid organic oxide organonitrogen compound organopnictogen compound alcohol cyclitol or derivatives hydroxy acid carboxamide group n-acyl-amine secondary carboxylic acid amide fatty acid ester organic oxygen compound phosphoric acid ester monoalkyl phosphate carboxylic acid ester secondary alcohol aliphatic homomonocyclic compound hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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