Structure Database (LMSD)

Common Name
6-deoxyerythronolide B
Systematic Name
Synonyms
LM ID
LMPK04000002
Formula
C21H38O6
Exact Mass
Calculate m/z
386.26684
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)
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

Other Databases

KEGG ID
C03240
CHEBI ID
16089
PubChem CID
121904
PDB ID
DEB

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

Admin

Created at
-
Updated at
-