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IMPPAT Phytochemical information:
10-hydroxydocosanoic Acid
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY010345
Phytochemical name:
10-hydroxydocosanoic Acid
Synonymous chemical names:
10-hydroxydocosanoic acid
External chemical identifiers:
CID:236496
Chemical structure information
SMILES:
CCCCCCCCCCCCC(CCCCCCCCC(=O)O)O
InChI:
InChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-12-15-18-21(23)19-16-13-10-11-14-17-20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)
InChIKey:
NHFLCXKIJMDUOC-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCC=O)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:
0.652
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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