Compound Identification
SMILES
OC1CC(=CC(OP([O-])([O-])=O)C1O)C([O-])=O
InChIKey
InChIKey=QYOJSKGCWNAKGW-UHFFFAOYSA-K
Formula
C7H8O8P
Mass
251.108
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Organic phosphoric acids and derivatives
-
Subclass
Phosphate esters
- Level 5 Alkyl phosphates
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Subclass
Phosphate esters
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Class
Organic phosphoric acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic phosphoric acids and derivatives
Subclass
Phosphate esters
Intermediate Tree Nodes
Not available
Direct Parent
Alkyl phosphates
Alternative Parents
Cyclitols and derivatives Secondary alcohols 1,2-diols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Alkyl phosphate - Cyclitol or derivatives - Secondary alcohol - 1,2-diol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Organic anion - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl phosphates. These are organic compounds containing a phosphate group that is linked to one or more alkyl chains.
External Descriptors
META CYC (SHIKIMATE-5P) : a small molecule