Structure Database (LMSD)
Common Name
Mycinonic acid I
Systematic Name
5R-hydroxy-4S-methyl-2E-heptenoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
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
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Micromonospora griseorubida
(#28040)
Actinomycetes
(#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
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
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