Structure Database (LMSD)

Common Name
Minocycline
Systematic Name
Synonyms
LM ID
LMPK07000002
Formula
C23H27N3O7
Exact Mass
Calculate m/z
457.184902
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Linear tetracyclines [PK07]

String Representations

InChiKey (Click to copy)
DYKFCLLONBREIL-KVUCHLLUSA-N
InChi (Click to copy)
InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1
SMILES (Click to copy)
[C@@]12([H])C[C@@]3([H])C(C(=O)C4=C(C(N(C)C)=CC=C4O)C3)=C(O)[C@]1(O)C(=O)C(=C(O)[C@H]2N(C)C)C(=O)N

Other Databases

Wikipedia
Minocycline
KEGG ID
C07225
HMDB ID
HMDB0015152
CHEBI ID
77906
PubChem CID
54675783
PDB ID
MIY

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 1
Rotatable Bonds 3
Van der Waals Molecular Volume 419.53
Topological Polar Surface Area 164.63
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 9
logP 0.76
Molar Refractivity 119.03

Admin

Created at
-
Updated at
-