IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
24-Hydroxytetracosanoic acid
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY004908
Phytochemical name:
24-Hydroxytetracosanoic acid
Synonymous chemical names:
24-hydroxy-tetracosanoic-acid
External chemical identifiers:
CID:5312780
,
ChEBI:76930
,
ZINC:ZINC000014510325
,
SureChEMBL:SCHEMBL1315859
Chemical structure information
SMILES:
OCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI:
InChI=1S/C24H48O3/c25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24(26)27/h25H,1-23H2,(H,26,27)
InChIKey:
OVBKVWSHXDCSTK-UHFFFAOYSA-N
DeepSMILES:
OCCCCCCCCCCCCCCCCCCCCCCCC=O)O
Functional groups:
CC(=O)O, CO
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:
0.362
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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