Structure Database (LMSD)

Common Name
Chaetoglobosin B
Systematic Name
Synonyms
LM ID
LMPK11000033
Formula
C32H36N2O5
Exact Mass
Calculate m/z
528.262423
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)
Correlation between effects of 24 different cytochalasins on cellular structures and cellular events and those on actin in vitro.,
J Cell Biol, 1982
Pubmed ID: 7199054

String Representations

InChiKey (Click to copy)
VUEFRYQBOMQOMV-BEQOWTTGSA-N
InChi (Click to copy)
InChI=1S/C32H36N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-14,16-17,23,25,28-30,33,37-38H,8,15H2,1-4H3,(H,34,39)/b10-7+,13-12+,18-14+/t17-,23-,25-,28-,29+,30?,32+/m0/s1
SMILES (Click to copy)
C1(C)=C(C)C(O)[C@@H]2C=CC[C@H](C)C=C(C)[C@@H](O)C(=O)C=CC(=O)[C@@]32C(=O)N[C@@H](CC2=CNC4C=CC=CC2=4)[C@]13[H]

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 5
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 515.47
Topological Polar Surface Area 119.49
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 4.44
Molar Refractivity 151.03

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Created at
13th Apr 2021
Updated at
13th Apr 2021