IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Arachidate
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY012849
Phytochemical name:
Arachidate
Synonymous chemical names:
arachidate
External chemical identifiers:
CID:5461017
,
ChEBI:32360
Chemical structure information
SMILES:
CCCCCCCCCCCCCCCCCCCC(=O)[O-]
InChI:
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)/p-1
InChIKey:
VKOBVWXKNCXXDE-UHFFFAOYSA-M
DeepSMILES:
CCCCCCCCCCCCCCCCCCCC=O)[O-]
Functional groups:
CC(=O)[O-]
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 acyls
NP Classifier Class:
Fatty aldehydes
NP-Likeness score:
0.087
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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