NP-MRD: Showing NP-Card for Fumitremorgin A (NP0058009)

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Record Information

Version

2.0

Created at

2022-04-28 03:20:46 UTC

Updated at

2022-04-28 03:20:46 UTC

NP-MRD ID

NP0058009

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Fumitremorgin A

Description

Fumitremorgin A belongs to the class of organic compounds known as beta carbolines. Beta carbolines are compounds containing a 9H-pyrido[3,4-b]indole moiety. Fumitremorgin A is found in Aspergillus caespitosus, Aspergillus fumigatus, Neosartaria fischeri, Penicillium janthinellum and Penicillium piscarium. Fumitremorgin A was first documented in 1990 (PMID: 2313930). Based on a literature review a small amount of articles have been published on fumitremorgin A (PMID: 26541059) (PMID: 26256033) (PMID: 23109474) (PMID: 20974273).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282205202D          

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M  END

     RDKit          3D

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M  END


  Mrv1652304282205202D          

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    2.9782    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5014    2.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    3.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2691    1.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8681   -0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7459    0.6348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6358   -0.4831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7580   -1.2990    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1126   -1.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2348   -2.6287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5718   -1.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9525   -0.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3740   -0.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1004    0.1210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1403   -4.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6189   -3.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1090   -2.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2524   -3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0753   -3.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2092   -4.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 30 29  1  1  0  0  0
 30 31  1  0  0  0  0
 18 31  1  0  0  0  0
 31 32  2  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 29 35  1  0  0  0  0
 19 36  1  6  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 12 39  1  6  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0058009

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2C(=C1)N1[C@H](OOC(C)(C)C[C@@H]3N4C(=O)[C@@H]5CCCN5C(=O)[C@]4(O)[C@@H](OCC=C(C)C)C2=C13)C=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C32H41N3O7/c1-18(2)12-14-40-28-26-21-11-10-20(39-7)16-23(21)34-25(15-19(3)4)41-42-31(5,6)17-24(27(26)34)35-29(36)22-9-8-13-33(22)30(37)32(28,35)38/h10-12,15-16,22,24-25,28,38H,8-9,13-14,17H2,1-7H3/t22-,24-,25+,28-,32+/m0/s1

> <INCHI_KEY>
ACGHJVZDNQZJOV-BMOJZYMJSA-N

> <FORMULA>
C32H41N3O7

> <MOLECULAR_WEIGHT>
579.694

> <EXACT_MASS>
579.294450672

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
83

> <JCHEM_AVERAGE_POLARIZABILITY>
63.86510727815048

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(9R,14S,17S,23R,24S)-23-hydroxy-5-methoxy-12,12-dimethyl-24-[(3-methylbut-2-en-1-yl)oxy]-9-(2-methylprop-1-en-1-yl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0^{2,7}.0^{8,25}.0^{15,23}.0^{17,21}]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione

> <ALOGPS_LOGP>
3.03

> <JCHEM_LOGP>
4.433178663333333

> <ALOGPS_LOGS>
-3.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.810981517905557

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.125312516887636

> <JCHEM_PKA_STRONGEST_BASIC>
-4.025524065680118

> <JCHEM_POLAR_SURFACE_AREA>
102.70000000000002

> <JCHEM_REFRACTIVITY>
156.90160000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.01e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(9R,14S,17S,23R,24S)-23-hydroxy-5-methoxy-12,12-dimethyl-24-[(3-methylbut-2-en-1-yl)oxy]-9-(2-methylprop-1-en-1-yl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0^{2,7}.0^{8,25}.0^{15,23}.0^{17,21}]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      -0.390  -2.873   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.148  -2.805   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.859  -1.439   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.031  -0.140   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.508  -0.208   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.218  -1.574   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.757  -1.642   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -3.585  -0.343   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.378  -1.692   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.606  -3.215   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       2.228  -3.903   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       1.740  -5.363   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.427  -6.741   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       3.888  -7.230   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       5.266  -6.542   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.754  -5.081   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.066  -3.703   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       6.244  -2.820   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       6.016  -1.297   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.583  -0.733   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.354   0.790   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       5.559   1.749   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.331   3.272   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.536   4.231   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.308   5.754   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.969   3.667   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.220  -0.338   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       6.992   1.185   0.000  0.00  0.00           O+0
HETATM   29  N   UNK     0       8.654  -0.902   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0       8.882  -2.425   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       7.677  -3.384   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       7.905  -4.907   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      10.401  -2.679   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      11.111  -1.312   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      10.031  -0.214   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       5.787   0.226   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       5.862  -7.962   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.755  -6.934   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       0.204  -5.471   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -0.471  -6.856   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -2.007  -6.964   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       0.391  -8.132   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3   11                                                  
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    3   10   20                                                  
CONECT   10    9   11   17                                                  
CONECT   11   10    2   12                                                  
CONECT   12   11   13   39                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   37   38                                             
CONECT   16   15   17                                                       
CONECT   17   16   10   18                                                  
CONECT   18   17   19   31                                                  
CONECT   19   18   20   27   36                                             
CONECT   20   19    9   21                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   19   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   35                                                  
CONECT   30   29   31   33                                                  
CONECT   31   30   18   32                                                  
CONECT   32   31                                                            
CONECT   33   30   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   29                                                       
CONECT   36   19                                                            
CONECT   37   15                                                            
CONECT   38   15                                                            
CONECT   39   12   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   94    0
END

View in JSmol

Synonyms

Value	Source
Fumitremorgin a, 5S-(5alpha,10beta,10abeta,14aalpha,15balpha)-isomer	MeSH

Chemical Formula

C₃₂H₄₁N₃O₇

Average Mass

579.6940 Da

Monoisotopic Mass

579.29445 Da

IUPAC Name

(9R,14S,17S,23R,24S)-23-hydroxy-5-methoxy-12,12-dimethyl-24-[(3-methylbut-2-en-1-yl)oxy]-9-(2-methylprop-1-en-1-yl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0^{2,7}.0^{8,25}.0^{15,23}.0^{17,21}]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=CC=C2C(=C1)N1[C@H](OOC(C)(C)C[C@@H]3N4C(=O)[C@@H]5CCCN5C(=O)[C@]4(O)[C@@H](OCC=C(C)C)C2=C13)C=C(C)C

InChI Identifier

InChI=1S/C32H41N3O7/c1-18(2)12-14-40-28-26-21-11-10-20(39-7)16-23(21)34-25(15-19(3)4)41-42-31(5,6)17-24(27(26)34)35-29(36)22-9-8-13-33(22)30(37)32(28,35)38/h10-12,15-16,22,24-25,28,38H,8-9,13-14,17H2,1-7H3/t22-,24-,25+,28-,32+/m0/s1

InChI Key

ACGHJVZDNQZJOV-BMOJZYMJSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Aspergillus caespitosus	Fungi	KNApSAcK
Aspergillus fumigatus	Fungi	KNApSAcK
Neosartaria fischeri	-	KNApSAcK
Penicillium janthinellum	Fungi	KNApSAcK
Penicillium piscarium	Fungi	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as beta carbolines. Beta carbolines are compounds containing a 9H-pyrido[3,4-b]indole moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Pyridoindoles

Direct Parent

Beta carbolines

Alternative Parents

Substituents

Beta-carboline
Alpha-amino acid or derivatives
3-alkylindole
Indole
Anisole
Dioxopiperazine
2,5-dioxopiperazine
Alkyl aryl ether
N-alkylpiperazine
1,4-diazinane
Piperazine
Benzenoid
Heteroaromatic compound
Tertiary carboxylic acid amide
Pyrrolidine
Pyrrole
Carboxamide group
Lactam
Dialkyl peroxide
Azacycle
Ether
Oxacycle
Dialkyl ether
Carboxylic acid derivative
Alkanolamine
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Organonitrogen compound
Organooxygen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

aromatic ether (CHEBI:72766 )
organic heterohexacyclic compound (CHEBI:72766 )
indole alkaloid (CHEBI:72766 )
diol (CHEBI:72766 )
organic peroxide (CHEBI:72766 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	3.03	ALOGPS
logP	4.43	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	10.13	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	102.7 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	156.9 m³·mol⁻¹	ChemAxon
Polarizability	63.87 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00011296

Chemspider ID

96882

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

107713

PDB ID

Not Available

ChEBI ID

72766

Good Scents ID

Not Available

References

General References

Wang X, Pan Y, Huang KW, Lai Z: One-Pot Synthesis of N-(alpha-Peroxy)Indole/Carbazole via Chemoselective Three-Component Condensation Reaction in Open Atmosphere. Org Lett. 2015 Nov 20;17(22):5630-3. doi: 10.1021/acs.orglett.5b02881. Epub 2015 Nov 6. [PubMed:26541059 ]
Feng Y, Holte D, Zoller J, Umemiya S, Simke LR, Baran PS: Total Synthesis of Verruculogen and Fumitremorgin A Enabled by Ligand-Controlled C-H Borylation. J Am Chem Soc. 2015 Aug 19;137(32):10160-3. doi: 10.1021/jacs.5b07154. Epub 2015 Aug 11. [PubMed:26256033 ]
Mundt K, Wollinsky B, Ruan HL, Zhu T, Li SM: Identification of the verruculogen prenyltransferase FtmPT3 by a combination of chemical, bioinformatic and biochemical approaches. Chembiochem. 2012 Nov 26;13(17):2583-92. doi: 10.1002/cbic.201200523. Epub 2012 Oct 26. [PubMed:23109474 ]
Abad A, Fernandez-Molina JV, Bikandi J, Ramirez A, Margareto J, Sendino J, Hernando FL, Ponton J, Garaizar J, Rementeria A: What makes Aspergillus fumigatus a successful pathogen? Genes and molecules involved in invasive aspergillosis. Rev Iberoam Micol. 2010 Oct-Dec;27(4):155-82. doi: 10.1016/j.riam.2010.10.003. Epub 2010 Oct 23. [PubMed:20974273 ]
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Showing NP-Card for Fumitremorgin A (NP0058009)

MOL for NP0058009 (Fumitremorgin A)

3D MOL for NP0058009 (Fumitremorgin A)

3D SDF for NP0058009 (Fumitremorgin A)

3D-SDF for NP0058009 (Fumitremorgin A)

PDB for NP0058009 (Fumitremorgin A)

3D PDB for NP0058009 (Fumitremorgin A)

SMILES for NP0058009 (Fumitremorgin A)

INCHI for NP0058009 (Fumitremorgin A)

Structure for NP0058009 (Fumitremorgin A)

3D Structure for NP0058009 (Fumitremorgin A)