Structure Database (LMSD)
Common Name
Nudic Acid B
Systematic Name
7-Cyano-2E-heptene-4,6-diynoic acid
Synonyms
- Diatretyne 2, Diatretyne II
No other lipid differing only in stereochemistry/bond geometry found
3D model of Nudic Acid B
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)
DMGKNZBGIHCAMP-GQCTYLIASA-N
InChi (Click to copy)
InChI=1S/C8H3NO2/c9-7-5-3-1-2-4-6-8(10)11/h4,6H,(H,10,11)/b6-4+
SMILES (Click to copy)
C(/C=C/C#CC#CC#N)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unclassified Clitocybe
(#2644745)
Agaricomycetes
(#155619)
Structure of diatretyne 2, an antibiotic polyacetylenic nitrile from Clitocybe diatreta.,
Science, 1955
Science, 1955
Pubmed ID:
14372966
Tricholoma
(#40144)
Agaricomycetes
(#155619)
Identity of nudic acid B and diatretyne diatretyne II.,
Nature, 1957
Nature, 1957
Pubmed ID:
13430793
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
Aromatic Rings
Rotatable Bonds
1
Van der Waals Molecular Volume
154.42
Topological Polar Surface Area
61.09
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
0.16
Molar Refractivity
37.94
Admin
Created at
29th Aug 2022
Updated at
29th Aug 2022