DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:49:18 UTC
Update Date	2025-03-25 01:11:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02314285
Frequency	0.5
Structure
Chemical Formula	C₅₃H₉₇NO₂₉P₂
Molecular Mass	1273.5621
SMILES	CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1OC(C(O)CO)C(COC2(C(=O)O)CC(OC3(C(=O)O)CC(OP(=O)(O)OCCN)C(O)C(C(O)CO)O3)C(O)C(C(O)CO)O2)C1OP(=O)(O)O
InChI Key	ZMEZQHSLJHKNQT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	pentose phosphates
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	c-glucuronides carbonyl compounds carboxylic acid esters carboxylic acids dialkyl phosphates fatty acid esters 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 tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid pentose phosphate carboxylic acid derivative pyran carboxylic acid phosphoethanolamine organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound c-glucuronide alcohol pyran carboxylic acid or derivatives tetrahydrofuran tetracarboxylic acid or derivatives oxacycle fatty acid ester dialkyl phosphate phosphoric acid ester pyran monoalkyl phosphate carboxylic acid ester secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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