Structure Database (LMSD)

Common Name
Neomethymycin
Systematic Name
Synonyms
LM ID
LMPK04000036
Formula
C25H43NO7
Exact Mass
Calculate m/z
469.303954
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Macrolides and lactone polyketides [PK04]

String Representations

InChiKey (Click to copy)
UEIVQYHYALXCBD-OTUJEKPESA-N
InChi (Click to copy)
InChI=1S/C25H43NO7/c1-13-9-10-20(28)14(2)11-15(3)22(17(5)24(30)32-23(13)18(6)27)33-25-21(29)19(26(7)8)12-16(4)31-25/h9-10,13-19,21-23,25,27,29H,11-12H2,1-8H3/b10-9+/t13-,14-,15+,16-,17-,18-,19+,21-,22+,23+,25+/m1/s1
SMILES (Click to copy)
C[C@@H]1/C=C/C(=O)[C@H](C)C[C@H](C)[C@@H]([C@@H](C)C(=O)O[C@@H]1[C@@H](C)O)O[C@H]1[C@@H]([C@H](C[C@@H](C)O1)N(C)C)O

Other Databases

KEGG ID
C11995
CHEBI ID
29656
PubChem CID
5282033

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 480.95
Topological Polar Surface Area 109.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 4.17
Molar Refractivity 127.87

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Created at
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Updated at
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