Structure Database (LMSD)

Common Name
Trichostatin
Systematic Name
Synonyms
LM ID
LMPK01000055
Formula
C17H22N2O3
Exact Mass
Calculate m/z
302.163043
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Linear polyketides [PK01]

References

Taxonomy Information

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

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

Other Databases

Wikipedia
Trichostatin_A
CHEBI ID
46024
PubChem CID
444732
Cayman ID
89730
PDB ID
TSN
GuidePharm ID
7005

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

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Created at
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Updated at
18th May 2021