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Secondary metabolite: 12-Hydroxydodecanoic acid methyl ester
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C13H26O3
SMILES:
OCCCCCCCCCCCC(=O)OC
InChI:
InChI=1S/C13H26O3/c1-16-13(15)11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-12H2,1H3
InChIKey:
WVYBBOXJKXXXOY-UHFFFAOYSA-N
Chemical classification
Kingdom:
Organic compounds
Super class:
Lipids and lipid-like molecules
Class:
Fatty Acyls
Sub class:
Fatty alcohols
Synonymous chemical names:
12-hydroxydodecanoic acid methyl ester
External chemical identifiers:
CID_522424
;
CAS_71655-36-2
;
NPATLAS_NPA010466
;
CHEMSPIDER_455714
;
ZINC_ZINC000014449134
;
Molport_MolPort-046-917-912
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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