Summary

IMPPAT Phytochemical identifier: IMPHY003419

Phytochemical name: Mevalonic acid

Synonymous chemical names:
mevalonic acid

External chemical identifiers:
CID:439230, ChEMBL:CHEMBL1794734, ChEBI:17710, ZINC:ZINC000000895221, SureChEMBL:SCHEMBL120275

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Chemical structure information

SMILES:
OCC[C@](CC(=O)O)(O)C

InChI:
InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m1/s1

InChIKey:
KJTLQQUUPVSXIM-ZCFIWIBFSA-N

DeepSMILES:
OCC[C@]CC=O)O)))O)C

Functional groups:
CC(=O)O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 1.401

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Chemical structure download