Structure Database (LMSD)
Common Name
Mycinonic acid I
Systematic Name
5R-hydroxy-4S-methyl-2E-heptenoic acid
Synonyms
3D model of Mycinonic acid I
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
SUTQROWYWGRRPW-LYNIJRAASA-N
InChi (Click to copy)
InChI=1S/C8H14O3/c1-3-7(9)6(2)4-5-8(10)11/h4-7,9H,3H2,1-2H3,(H,10,11)/b5-4+/t6-,7+/m0/s1
SMILES (Click to copy)
C(O)(=O)/C=C/[C@H](C)[C@H](O)CC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Micromonospora griseorubida
(#28040)
Actinomycetia
(#1760)
Mycinamicin biosynthesis: isolation and structural elucidation of mycinonic acids, proposed intermediates for formation of mycinamicins. X-Ray molecular structure of p-bromophenacyl 5-hydroxy-4-methylhept-2-enoate,
J. Chem. Soc., Perkin Trans. 1, 1991
J. Chem. Soc., Perkin Trans. 1, 1991
DOI:
10.1039/P19910002547
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
168.05
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
1.32
Molar Refractivity
42.75
Admin
Created at
-
Updated at
14th May 2021