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IMPPAT Phytochemical information:
Myristyl palmitate
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY010884
Phytochemical name:
Myristyl palmitate
Synonymous chemical names:
myristyl palmitate, tetradecyl palmitate
External chemical identifiers:
CID:78294
,
ChEBI:84064
,
ZINC:ZINC000085573962
,
FDASRS:05918JMY6W
,
SureChEMBL:SCHEMBL146506
Chemical structure information
SMILES:
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC
InChI:
InChI=1S/C30H60O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30(31)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-29H2,1-2H3
InChIKey:
UULYVBBLIYLRCU-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCCC=O)OCCCCCCCCCCCCCC
Functional groups:
COC(C)=O
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Fatty acyls
ClassyFire Subclass:
Fatty acid esters
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty esters
NP Classifier Class:
Wax monoesters
NP-Likeness score:
0.122
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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