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econdary metabolites
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Secondary metabolite: 1,2-Diacetylsphingosine
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C22H43NO4
SMILES:
CCCCCCCCCCCCCCC[C@H]([C@@H](NC(=O)C)COC(=O)C)O
InChI:
InChI=1S/C22H43NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)21(23-19(2)24)18-27-20(3)25/h21-22,26H,4-18H2,1-3H3,(H,23,24)/t21-,22+/m0/s1
InChIKey:
IJUQYYAQRYPAMG-FCHUYYIVSA-N
Chemical classification
Kingdom:
Organic compounds
Super class:
Organic acids and derivatives
Class:
Carboxylic acids and derivatives
Sub class:
Carboxylic acid derivatives
Synonymous chemical names:
1,2-diacetylsphingosine
External chemical identifiers:
CID_45101393
;
NPATLAS_NPA017422
;
CHEMSPIDER_29330374
;
ZINC_ZINC000197917862
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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