Structure Database (LMSD)

Common Name
Armochaetoglasin J
Systematic Name
Synonyms
LM ID
LMPK11000031
Formula
C32H38N2O6
Exact Mass
Calculate m/z
546.272988
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Cytochalasins [PK11]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Chaetomium globosum (#38033)
Sordariomycetes (#147550)
Armochaetoglasins J and K: new cytochalasans from Chaetomium globosum.,
Nat Prod Res, 2021
Pubmed ID: 33487054

String Representations

InChiKey (Click to copy)
NUUDIFNQOQIYAB-GNNSKLCBSA-N
InChi (Click to copy)
InChI=1S/C32H38N2O6/c1-17-8-7-10-22-29(38)31(4,40)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(39)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,24,27,29,33,38,40H,8,12-13,15H2,1-4H3,(H,34,39)/b10-7+,18-14+/t17-,19-,22-,24-,27-,29-,31+,32+/m0/s1
SMILES (Click to copy)
[C@@H]1(C)[C@](O)(C)[C@@H](O)[C@@H]2C=CC[C@H](C)C=C(C)C(=O)C(=O)CCC(=O)[C@@]32C(=O)N[C@@H](CC2=CNC4C=CC=CC2=4)[C@]13[H]

Other Databases

PubChem CID
171119313

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 5
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 526.90
Topological Polar Surface Area 136.56
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 3.92
Molar Refractivity 151.54

Admin

Created at
26th Jan 2021
Updated at
26th Jan 2021