Structure Database (LMSD)

Common Name
Mycinonic acid II
Systematic Name
7R-hydroxy-6S-methyl-2E,4E-nonadienoic acid
Synonyms
LM ID
LMFA01020443
Formula
C10H16O3
Exact Mass
Calculate m/z
184.109945
Sum Composition
FA 10:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

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

String Representations

InChiKey (Click to copy)
GAGPGLNKJBDMHP-ZWAIYACTSA-N
InChi (Click to copy)
InChI=1S/C10H16O3/c1-3-9(11)8(2)6-4-5-7-10(12)13/h4-9,11H,3H2,1-2H3,(H,12,13)/b6-4+,7-5+/t8-,9+/m0/s1
SMILES (Click to copy)
C(=C/C(=O)O)\C=C\[C@H](C)[C@H](O)CC

Other Databases

PubChem CID
14082280

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 200.01
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 1.88
Molar Refractivity 51.89

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Created at
14th May 2021
Updated at
14th May 2021