Structure Database (LMSD)

Common Name
Mycomycin
Systematic Name
3E,5Z,7,8-tridecatetraene-10,12-diynoic acid
Synonyms
LM ID
LMFA01031129
Formula
C13H10O2
Exact Mass
Calculate m/z
198.06808
Sum Composition
FA 13:8
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Nocardia (#1817)
Actinomycetes (#1760)
THE STRUCTURE OF THE ANTIBIOTIC MYCOMYCIN,
J Am Chem Soc, 1952

String Representations

InChiKey (Click to copy)
APNPVBXEWGCCLU-QNRZBPGKSA-N
InChi (Click to copy)
InChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h1,5,7-11H,12H2,(H,14,15)/b9-8-,11-10+
SMILES (Click to copy)
C(C/C=C/C=C\C=C=CC#CC#C)(=O)O

Other Databases

CHEBI ID
32385
PubChem CID
5461007

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 227.28
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.92
Molar Refractivity 59.79

Admin

Created at
-
Updated at
20th Sep 2021