Structure Database (LMSD)

Common Name
Trichostatin
Systematic Name
Synonyms
LM ID
LMPK01000055
Status
Active
Exact Mass
Calculate m/z
302.163043
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
RTKIYFITIVXBLE-QEQCGCAPSA-N
InChi (Click to copy)
InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
SMILES (Click to copy)
C1=CC(C(=O)[C@H](C)/C=C(\C)/C=C/C(=O)NO)=CC=C1N(C)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces hygroscopicus (#1912)
Actinomycetia (#1760)
A new antifungal antibiotic, trichostatin,
J Antibiot (Tokyo), 1976
Pubmed ID: 931784

Other Databases

Wikipedia
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 1
Rotatable Bonds 6
Van der Waals Molecular Volume 309.29
Topological Polar Surface Area 69.64
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.75
Molar Refractivity 86.95

Admin

Created at
-
Updated at
18th May 2021