DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:44:37 UTC
Update Date	2025-03-25 01:10:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02303266
Frequency	0.5
Structure
Chemical Formula	C₄₀H₆₇NO₃₉P₂
Molecular Mass	1247.2765
SMILES	CC(=O)OC1C(O)C(OC(C(O)CO)C(O)C(O)C=O)OC(COC2(C(=O)O)CC(OC3(C(=O)O)CC(OC4(C(=O)O)CC(OP(=O)(O)OCCN)C(O)C(C(O)CO)O4)C(O)C(C(O)CO)O3)C(O)C(C(O)CO)O2)C1OP(=O)(O)O
InChI Key	FBHSFNLZLIOQGP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	hexose phosphates
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alkyl glycosides alpha-hydroxyaldehydes beta-hydroxy aldehydes c-glucuronides carboxylic acid esters carboxylic acids dialkyl phosphates fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives ketals monoalkyl phosphates monoalkylamines monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phosphoethanolamines primary alcohols pyran carboxylic acids secondary alcohols tetracarboxylic acids and derivatives
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group carboxylic acid carboxylic acid derivative pyran carboxylic acid phosphoethanolamine organic oxide alpha-hydroxyaldehyde acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound c-glucuronide alcohol pyran carboxylic acid or derivatives fatty acyl glycoside aldehyde tetracarboxylic acid or derivatives oxacycle dialkyl phosphate phosphoric acid ester pyran monoalkyl phosphate carboxylic acid ester hexose phosphate secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate alkyl glycoside

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