Structure Database (LMSD)

Common Name
DMG-MINO
Systematic Name
9-(N,N-dimethylglycylamido)minocycline
Synonyms
LM ID
LMPK07000009
Status
Active
Exact Mass
Calculate m/z
557.248565
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)
CTFJMTPWQZXWGH-ISIOAQNYSA-N
InChi (Click to copy)
InChI=1S/C27H35N5O8/c1-30(2)10-16(33)29-14-9-15(31(3)4)12-7-11-8-13-20(32(5)6)23(36)19(26(28)39)25(38)27(13,40)24(37)17(11)22(35)18(12)21(14)34/h9,11,13,20,34,36-37,40H,7-8,10H2,1-6H3,(H2,28,39)(H,29,33)/t11-,13-,20-,27-/m0/s1
SMILES (Click to copy)
C1=C(NC(=O)CN(C)C)C(O)=C2C(=O)C3=C(O)[C@]4(O)C(=O)C(=C([C@H]([C@]4([H])C[C@]3([H])CC2=C1N(C)C)N(C)C)O)C(N)=O

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 4
Aromatic Rings 1
Rotatable Bonds 6
Van der Waals Molecular Volume 516.88
Topological Polar Surface Area 196.97
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 0.54
Molar Refractivity 146.70

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Created at
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Updated at
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