NP-MRD: Showing NP-Card for ceriporic acid b (NP0153597)

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Record Information

Version

2.0

Created at

2022-09-02 10:17:04 UTC

Updated at

2022-09-02 10:17:04 UTC

NP-MRD ID

NP0153597

Secondary Accession Numbers

None

Natural Product Identification

Common Name

ceriporic acid b

Description

Ceriporic acid b, also known as ceripate b, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. ceriporic acid b was first documented in 2002 (PMID: 12426072). Based on a literature review a significant number of articles have been published on Ceriporic acid b (PMID: 14623447) (PMID: 19477313) (PMID: 17315072) (PMID: 16153127) (PMID: 12359241).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 63 62  0  0  0  0  0  0  0  0999 V2000
   -7.8233    0.9820    1.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2242    0.1085    0.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1545   -1.2708    1.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6469   -1.6032    2.1550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5795   -2.2787    0.3037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7094    0.5768   -0.6810 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2467    0.8479   -0.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3869   -0.3577   -0.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8759    0.0036   -0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5194    0.8448    0.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1342    1.3217    0.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0097    0.4229    0.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2797   -0.6159   -0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5485   -1.4030    0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7601   -0.5004    0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0142    0.1817   -0.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1986    1.1015   -0.9121 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4598    0.2917   -0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6554    1.1674   -0.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9602    0.5127   -0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1698   -0.2130    1.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3239   -1.4261    1.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2054   -0.1882   -1.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0823    0.3413   -2.5802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7750   -1.4584   -2.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9171    2.0021    1.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2009    0.6573    2.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9502   -3.2309    0.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1778    1.6526   -0.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0512    1.4779    0.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9850    1.5252   -1.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6421   -1.1217   -1.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4338   -0.8545    0.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7923    0.6271   -1.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3905   -0.9530   -0.8219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8345    0.3004    1.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750    1.7691    0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1068    2.1346    1.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8997    1.9603   -0.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1980   -0.0908    1.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9317    1.0484    1.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5071   -1.4195    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2832   -0.2675   -1.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3845   -1.8775    1.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7078   -2.1452   -0.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6192   -1.2160    0.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7319    0.1689    1.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1097    0.7403   -1.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1686   -0.6276   -1.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0724    1.8495   -0.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3857    1.5830   -1.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3022   -0.1482    0.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5816   -0.5317   -1.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5259    1.9534    0.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7214    1.8228   -1.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -0.2372   -1.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8233    1.2449   -0.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0012    0.5190    1.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2494   -0.5044    1.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8820   -1.7957    0.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5581   -1.2721    1.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833   -2.2908    1.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9005   -1.8417   -3.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 21  1  0
 21 20  1  0
 20 19  1  0
 19 18  1  0
 18 17  1  0
 17 16  1  0
 16 15  1  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6 23  1  0
 23 25  1  0
 23 24  2  0
  6  2  1  0
  2  1  2  3
  2  3  1  0
  3  5  1  0
  3  4  2  0
 22 60  1  0
 22 61  1  0
 22 62  1  0
 21 58  1  0
 21 59  1  0
 20 56  1  0
 20 57  1  0
 19 54  1  0
 19 55  1  0
 18 52  1  0
 18 53  1  0
 17 50  1  0
 17 51  1  0
 16 48  1  0
 16 49  1  0
 15 46  1  0
 15 47  1  0
 14 44  1  0
 14 45  1  0
 13 42  1  0
 13 43  1  0
 12 40  1  0
 12 41  1  0
 11 38  1  0
 11 39  1  0
 10 36  1  0
 10 37  1  0
  9 34  1  0
  9 35  1  0
  8 32  1  0
  8 33  1  0
  7 30  1  0
  7 31  1  0
  6 29  1  6
 25 63  1  0
  1 26  1  0
  1 27  1  0
  5 28  1  0
M  END


  Mrv1652309022212172D          

 25 24  0  0  1  0            999 V2000
    9.9000    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1855    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4711    5.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1855    6.9533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6145    6.1283    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3289    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0434    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7579    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4724    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1868    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9013    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6158    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3302    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0447    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7592    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4737    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1881    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9026    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6171    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3315    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0460    6.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6145    6.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3289    7.3658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000    7.3658    0.0000 O   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
  3  5  1  0  0  0  0
  6  2  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 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 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  6 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0153597

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCC[C@@H](C(O)=O)C(=C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21(24)25)18(2)20(22)23/h19H,2-17H2,1H3,(H,22,23)(H,24,25)/t19-/m1/s1

> <INCHI_KEY>
GFBJXFMJWQHQJC-LJQANCHMSA-N

> <FORMULA>
C21H38O4

> <MOLECULAR_WEIGHT>
354.531

> <EXACT_MASS>
354.277009704

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
44.553850891266485

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-hexadecyl-3-methylidenebutanedioic acid

> <ALOGPS_LOGP>
6.52

> <JCHEM_LOGP>
7.264340935333334

> <ALOGPS_LOGS>
-6.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.911534305272923

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.159986150388018

> <JCHEM_POLAR_SURFACE_AREA>
74.6

> <JCHEM_REFRACTIVITY>
101.50439999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.74e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ceriporic acid B

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      18.480   9.129   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      18.480  10.669   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      17.146  11.439   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      15.813  10.669   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      17.146  12.979   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      19.814  11.439   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      21.147  10.669   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      22.481  11.439   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      23.815  10.669   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      25.148  11.439   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      26.482  10.669   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      27.816  11.439   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      29.149  10.669   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      30.483  11.439   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      31.817  10.669   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      33.150  11.439   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      34.484  10.669   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      35.818  11.439   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      37.152  10.669   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      38.485  11.439   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      39.819  10.669   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      41.153  11.439   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      19.814  12.979   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      21.147  13.749   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      18.480  13.749   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    2    7   23                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23    6   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   48    0
END

View in JSmol

Synonyms

Value	Source
Ceripate b	Generator
Ceripic acid b	Generator
1-Nonadecene-2,3-dicarboxylic acid	MeSH

Chemical Formula

C₂₁H₃₈O₄

Average Mass

354.5310 Da

Monoisotopic Mass

354.27701 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCC[C@@H](C(O)=O)C(=C)C(O)=O

InChI Identifier

InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21(24)25)18(2)20(22)23/h19H,2-17H2,1H3,(H,22,23)(H,24,25)/t19-/m1/s1

InChI Key

GFBJXFMJWQHQJC-LJQANCHMSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Long-chain fatty acids

Alternative Parents

Substituents

Long-chain fatty acid
Methyl-branched fatty acid
Branched fatty acid
Unsaturated fatty acid
Dicarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Dicarboxylic acids (LMFA01170125 )

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	6.52	ALOGPS
logP	7.26	ChemAxon
logS	-6.3	ALOGPS

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

113369163

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

52921867

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Amirta R, Fujimori K, Shirai N, Honda Y, Watanabe T: Ceriporic acid C, a hexadecenylitaconate produced by a lignin-degrading fungus, Ceriporiopsis subvermispora. Chem Phys Lipids. 2003 Dec;126(2):121-31. doi: 10.1016/s0009-3084(03)00098-7. [PubMed:14623447 ]
Nishimura H, Murayama K, Watanabe T, Honda Y, Watanabe T: Absolute configuration of ceriporic acids, the iron redox-silencing metabolites produced by a selective lignin-degrading fungus, Ceriporiopsis subvermispora. Chem Phys Lipids. 2009 Jun;159(2):77-80. doi: 10.1016/j.chemphyslip.2009.03.006. Epub 2009 Apr 5. [PubMed:19477313 ]
Ohashi Y, Kan Y, Watanabe T, Honda Y, Watanabe T: Redox silencing of the Fenton reaction system by an alkylitaconic acid, ceriporic acid B produced by a selective lignin-degrading fungus, Ceriporiopsis subvermispora. Org Biomol Chem. 2007 Mar 7;5(5):840-7. doi: 10.1039/b614379b. Epub 2007 Jan 26. [PubMed:17315072 ]
Rahmawati N, Ohashi Y, Watanabe T, Honda Y, Watanabe T: Ceriporic acid B, an extracellular metabolite of Ceriporiopsis subvermispora, suppresses the depolymerization of cellulose by the Fenton reaction. Biomacromolecules. 2005 Sep-Oct;6(5):2851-6. doi: 10.1021/bm050358t. [PubMed:16153127 ]
Enoki M, Honda Y, Kuwahara M, Watanabe T: Chemical synthesis, iron redox interactions and charge transfer complex formation of alkylitaconic acids from Ceriporiopsis subvermispora. Chem Phys Lipids. 2002 Dec;120(1-2):9-20. doi: 10.1016/s0009-3084(02)00072-5. [PubMed:12426072 ]
Watanabe T, Teranishi H, Honda Y, Kuwahara M: A selective lignin-degrading fungus, Ceriporiopsis subvermispora, produces alkylitaconates that inhibit the production of a cellulolytic active oxygen species, hydroxyl radical in the presence of iron and H(2)O(2). Biochem Biophys Res Commun. 2002 Oct 4;297(4):918-23. doi: 10.1016/s0006-291x(02)02313-6. [PubMed:12359241 ]
LOTUS database [Link]

Showing NP-Card for ceriporic acid b (NP0153597)

MOL for NP0153597 (ceriporic acid b)

3D MOL for NP0153597 (ceriporic acid b)

3D SDF for NP0153597 (ceriporic acid b)

3D-SDF for NP0153597 (ceriporic acid b)

PDB for NP0153597 (ceriporic acid b)

3D PDB for NP0153597 (ceriporic acid b)

SMILES for NP0153597 (ceriporic acid b)

INCHI for NP0153597 (ceriporic acid b)

Structure for NP0153597 (ceriporic acid b)

3D Structure for NP0153597 (ceriporic acid b)