Structure Database (LMSD)

Common Name
6-deoxyerythronolide B
Systematic Name
Synonyms
LM ID
LMPK04000002
Status
Active
Exact Mass
Calculate m/z
386.26684
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
HQZOLNNEQAKEHT-IBBGRPSASA-N
InChi (Click to copy)
InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1
SMILES (Click to copy)
[C@@H]1(C)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)O[C@@H]1CC

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 406.96
Topological Polar Surface Area 106.13
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.33
Molar Refractivity 104.85

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Created at
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Updated at
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