DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:56:19 UTC
Update Date	2025-03-25 01:14:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02330479
Frequency	0.5
Structure
Chemical Formula	C₂₃H₄₃N₂O₂₆P₅S
Molecular Mass	950.0513
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(O)COC1C(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	VKZWPXZXQOFCJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	alcohols and polyols
Direct Parent	inositol phosphates
Geometric Descriptor	aliphatic homomonocyclic compounds
Alternative Parents	1,2-diols beta amino acids and derivatives carbonyl compounds carbothioic s-esters carboxylic acids and derivatives dialkyl ethers fatty acyl thioesters hydrocarbon derivatives monoalkyl phosphates monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides sulfenyl compounds thioesters thiolactones
Substituents	fatty acyl carbonyl group ether fatty amide monosaccharide inositol phosphate organosulfur compound carboxylic acid derivative dialkyl ether carbothioic s-ester saccharide organic oxide organonitrogen compound organopnictogen compound fatty acyl thioester thiolactone 1,2-diol thiocarboxylic acid or derivatives sulfenyl compound thiocarboxylic acid ester carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide phosphoric acid ester monoalkyl phosphate secondary alcohol aliphatic homomonocyclic compound hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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