NP-MRD: Showing NP-Card for (2e,4e,6e,8e)-n-[(1s,5s,6r)-5-hydroxy-5-[(1e,3e,5e,7e)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid (NP0288964)

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Record Information

Version

2.0

Created at

2022-09-09 18:55:08 UTC

Updated at

2022-09-09 18:55:08 UTC

NP-MRD ID

NP0288964

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e,4e,6e,8e)-n-[(1s,5s,6r)-5-hydroxy-5-[(1e,3e,5e,7e)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid

Description

Colabomycin A belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. (2e,4e,6e,8e)-n-[(1s,5s,6r)-5-hydroxy-5-[(1e,3e,5e,7e)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid is found in Streptomyces griseoflavus. (2e,4e,6e,8e)-n-[(1s,5s,6r)-5-hydroxy-5-[(1e,3e,5e,7e)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid was first documented in 1988 (PMID: 3182399). Based on a literature review a small amount of articles have been published on Colabomycin A (PMID: 7765099) (PMID: 3182400).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092220552D          

 39 41  0  0  1  0            999 V2000
    7.1447    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309092220552D          

 39 41  0  0  1  0            999 V2000
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   -0.8877   -6.4985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  4  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  1  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  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
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  4  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  2  0  0  0  0
 15 35  1  0  0  0  0
 35 36  1  6  0  0  0
 37 36  1  6  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 13 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0288964

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C\C=C\C=C\C=C\C(O)=NC1=C[C@@](O)(\C=C\C=C\C=C\C=C\C(O)=NC2=C(O)CCC2=O)[C@@H]2O[C@@H]2C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H30N2O7/c1-2-3-4-5-6-9-12-15-24(35)31-21-20-30(38,29-28(39-29)27(21)37)19-14-11-8-7-10-13-16-25(36)32-26-22(33)17-18-23(26)34/h2-16,19-20,28-29,33,38H,17-18H2,1H3,(H,31,35)(H,32,36)/b3-2+,5-4+,9-6+,10-7+,11-8+,15-12+,16-13+,19-14+/t28-,29-,30+/m1/s1

> <INCHI_KEY>
AVDIDFMWHMQFHM-ZNVBZEEFSA-N

> <FORMULA>
C30H30N2O7

> <MOLECULAR_WEIGHT>
530.577

> <EXACT_MASS>
530.205301314

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
58.902812128290556

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E,4E,6E,8E)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E,7E)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-C-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid

> <JCHEM_LOGP>
3.5733993266666664

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
6.266013749973518

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.663694114068929

> <JCHEM_PKA_STRONGEST_BASIC>
2.0548493853312912

> <JCHEM_POLAR_SURFACE_AREA>
152.31

> <JCHEM_REFRACTIVITY>
159.81560000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2E,4E,6E,8E)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E,7E)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-C-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      13.337  15.400   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.003  14.630   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.003  13.090   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.669  12.320   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.669  10.780   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.336  10.010   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.336   8.470   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002   7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668   5.390   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       5.335   6.160   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       6.668   3.850   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       5.335   3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001   0.770   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.991  -0.410   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       3.011  -0.410   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.538  -1.857   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.548  -3.037   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.075  -4.484   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.085  -5.663   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.611  -7.111   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.622  -8.290   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.148  -9.737   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.158 -10.917   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -0.358 -10.650   0.000  0.00  0.00           O+0
HETATM   27  N   UNK     0       1.685 -12.364   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0       0.695 -13.544   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.068 -15.038   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       2.496 -15.615   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -0.238 -15.854   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.418 -14.864   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.841 -13.436   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -1.657 -12.130   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       2.667   3.080   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       4.001   5.390   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   38                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17   35                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29   33                                                  
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   28   34                                                  
CONECT   34   33                                                            
CONECT   35   15   36   37                                                  
CONECT   36   35   37                                                       
CONECT   37   36   35   38                                                  
CONECT   38   37   13   39                                                  
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₃₀N₂O₇

Average Mass

530.5770 Da

Monoisotopic Mass

530.20530 Da

IUPAC Name

(2E,4E,6E,8E)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E,7E)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-C-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid

Traditional Name

CAS Registry Number

Not Available

SMILES

C\C=C\C=C\C=C\C=C\C(O)=NC1=C[C@@](O)(\C=C\C=C\C=C\C=C\C(O)=NC2=C(O)CCC2=O)[C@@H]2O[C@@H]2C1=O

InChI Identifier

InChI=1S/C30H30N2O7/c1-2-3-4-5-6-9-12-15-24(35)31-21-20-30(38,29-28(39-29)27(21)37)19-14-11-8-7-10-13-16-25(36)32-26-22(33)17-18-23(26)34/h2-16,19-20,28-29,33,38H,17-18H2,1H3,(H,31,35)(H,32,36)/b3-2+,5-4+,9-6+,10-7+,11-8+,15-12+,16-13+,19-14+/t28-,29-,30+/m1/s1

InChI Key

AVDIDFMWHMQFHM-ZNVBZEEFSA-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

Species Name	Source	Reference
Streptomyces griseoflavus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Cyclohexenones

Alternative Parents

Substituents

Cyclohexenone
N-acyl-amine
Tertiary alcohol
Vinylogous acid
Carboxamide group
Secondary carboxylic acid amide
Carboxylic acid derivative
Dialkyl ether
Oxirane
Ether
Oxacycle
Organoheterocyclic compound
Alcohol
Organic oxide
Organonitrogen compound
Hydrocarbon derivative
Organic nitrogen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

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	3.57	ChemAxon
pKa (Strongest Acidic)	5.66	ChemAxon
pKa (Strongest Basic)	2.05	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	152.31 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	159.82 m³·mol⁻¹	ChemAxon
Polarizability	58.9 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00017939

Chemspider ID

4948091

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6444154

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Grote R, Zeeck A, Drautz H, Zahner H: Metabolic products of microorganisms. 244. Colabomycins, new antibiotics of the manumycin group from Streptomyces griseoflavus. I. Isolation, characterization and biological properties. J Antibiot (Tokyo). 1988 Sep;41(9):1178-85. doi: 10.7164/antibiotics.41.1178. [PubMed:3182399 ]
Dick O, Onken U, Sattler I, Zeeck A: Influence of increased dissolved oxygen concentration on productivity and selectivity in cultures of a colabomycin-producing strain of Streptomyces griseoflavus. Appl Microbiol Biotechnol. 1994 Jun;41(4):373-7. doi: 10.1007/BF00939022. [PubMed:7765099 ]
Grote R, Zeeck A, Beale JM Jr: Metabolic products of microorganisms. 245. Colabomycins, new antibiotics of the manumycin group from Streptomyces griseoflavus. II. Structure of colabomycin A. J Antibiot (Tokyo). 1988 Sep;41(9):1186-95. doi: 10.7164/antibiotics.41.1186. [PubMed:3182400 ]
LOTUS database [Link]

Showing NP-Card for (2e,4e,6e,8e)-n-[(1s,5s,6r)-5-hydroxy-5-[(1e,3e,5e,7e)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid (NP0288964)

MOL for NP0288964 ((2e,4e,6e,8e)-n-[(1s,5s,6r)-5-hydroxy-5-[(1e,3e,5e,7e)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid)

3D MOL for NP0288964 ((2e,4e,6e,8e)-n-[(1s,5s,6r)-5-hydroxy-5-[(1e,3e,5e,7e)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid)

3D SDF for NP0288964 ((2e,4e,6e,8e)-n-[(1s,5s,6r)-5-hydroxy-5-[(1e,3e,5e,7e)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid)

3D-SDF for NP0288964 ((2e,4e,6e,8e)-n-[(1s,5s,6r)-5-hydroxy-5-[(1e,3e,5e,7e)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid)

PDB for NP0288964 ((2e,4e,6e,8e)-n-[(1s,5s,6r)-5-hydroxy-5-[(1e,3e,5e,7e)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid)

3D PDB for NP0288964 ((2e,4e,6e,8e)-n-[(1s,5s,6r)-5-hydroxy-5-[(1e,3e,5e,7e)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid)

SMILES for NP0288964 ((2e,4e,6e,8e)-n-[(1s,5s,6r)-5-hydroxy-5-[(1e,3e,5e,7e)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid)

INCHI for NP0288964 ((2e,4e,6e,8e)-n-[(1s,5s,6r)-5-hydroxy-5-[(1e,3e,5e,7e)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid)

Structure for NP0288964 ((2e,4e,6e,8e)-n-[(1s,5s,6r)-5-hydroxy-5-[(1e,3e,5e,7e)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid)

3D Structure for NP0288964 ((2e,4e,6e,8e)-n-[(1s,5s,6r)-5-hydroxy-5-[(1e,3e,5e,7e)-8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]octa-1,3,5,7-tetraen-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenimidic acid)