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IMPPAT Phytochemical information:
1-Tetratriacontanol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY005283
Phytochemical name:
1-Tetratriacontanol
Synonymous chemical names:
1-tetratriacontanol, sapiol (n-tetratriacontanol), tetratriacontan-1-ol, tetratriacontanol
External chemical identifiers:
CID:185639
,
ChEBI:77415
,
ZINC:ZINC000062240784
,
FDASRS:4BV78573LP
,
SureChEMBL:SCHEMBL16320
Chemical structure information
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChI:
InChI=1S/C34H70O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35/h35H,2-34H2,1H3
InChIKey:
OULAJFUGPPVRBK-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Functional groups:
CO
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Fatty acyls
ClassyFire Subclass:
Fatty alcohols
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Fatty alcohols
NP-Likeness score:
0.214
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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