Structure Database (LMSD)

Common Name
Chaetoglobosin A
Systematic Name
Synonyms
LM ID
LMPK11000003
Formula
C32H36N2O5
Exact Mass
Calculate m/z
528.262423
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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

Other Databases

CHEBI ID
68798
PubChem CID
6438437

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 6
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 505.75
Topological Polar Surface Area 111.79
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.82
Molar Refractivity 149.61

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Updated at
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