NP-MRD: Showing NP-Card for (1r,2r)-2-[(2s,4e,6z,8r,9s,11r,13s,15s,16s)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid (NP0249580)

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Record Information

Version

2.0

Created at

2022-09-07 12:10:45 UTC

Updated at

2022-09-07 12:10:45 UTC

NP-MRD ID

NP0249580

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2r)-2-[(2s,4e,6z,8r,9s,11r,13s,15s,16s)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid

Description

Borrelidin B belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. (1r,2r)-2-[(2s,4e,6z,8r,9s,11r,13s,15s,16s)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid was first documented in 2014 (PMID: 25393949). Based on a literature review a small amount of articles have been published on Borrelidin B (PMID: 29055178).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072214102D          

 35 36  0  0  1  0            999 V2000
    5.7158    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    5.9411    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.1447    4.7036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592    4.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    4.2911    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302    3.4661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.4661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4302    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
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 17 18  1  1  0  0  0
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 32 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
  2 35  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072214102D          

 35 36  0  0  1  0            999 V2000
    5.7158    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0013    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    7.1786    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
  2 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0249580

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)\C(CN)=C/C=C/C[C@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]1CCC[C@H]1C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H47NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-16,29H2,1-4H3,(H,33,34)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1

> <INCHI_KEY>
HSRFFKHGZLNWNZ-UGKRXNSESA-N

> <FORMULA>
C28H47NO6

> <MOLECULAR_WEIGHT>
493.685

> <EXACT_MASS>
493.340338237

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
55.804054712366856

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R)-2-[(2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid

> <JCHEM_LOGP>
1.5906195309970517

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.165038895376775

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.831100999454297

> <JCHEM_PKA_STRONGEST_BASIC>
9.261551189816892

> <JCHEM_POLAR_SURFACE_AREA>
130.08

> <JCHEM_REFRACTIVITY>
138.19400000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R)-2-[(2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      10.669  10.320   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.003  11.090   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.337  10.320   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.337   8.780   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.670   8.010   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.003   8.010   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      12.003   6.470   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      10.669   8.780   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.336   8.010   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       9.336   6.470   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       8.002   8.780   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       6.668   8.010   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.668   6.470   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.914   5.565   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.438   4.100   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.898   4.100   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.423   5.565   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.958   6.041   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.813   5.010   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       3.638   7.547   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.335   8.780   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335  10.320   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001  11.090   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001  12.630   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.335  13.400   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.335  14.940   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0       6.668  15.710   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0       6.668  12.630   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       6.668  11.090   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       8.002  13.400   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.002  14.940   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.336  12.630   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.669  13.400   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      10.669  14.940   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      12.003  12.630   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   35                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   21                                                  
CONECT   13   12   14   17                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   13   18                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   12   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   28                                                  
CONECT   26   25   27                                                       
CONECT   27   26                                                            
CONECT   28   25   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33    2                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   72    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₄₇NO₆

Average Mass

493.6850 Da

Monoisotopic Mass

493.34034 Da

IUPAC Name

(1R,2R)-2-[(2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid

Traditional Name

(1R,2R)-2-[(2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid

CAS Registry Number

Not Available

SMILES

C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)\C(CN)=C/C=C/C[C@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]1CCC[C@H]1C(O)=O

InChI Identifier

InChI=1S/C28H47NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-16,29H2,1-4H3,(H,33,34)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1

InChI Key

HSRFFKHGZLNWNZ-UGKRXNSESA-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 macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Dicarboxylic acid or derivatives
Amino acid or derivatives
Carboxylic acid ester
Amino acid
Secondary alcohol
Lactone
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Alcohol
Organonitrogen compound
Primary aliphatic amine
Organooxygen compound
Primary amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Amine
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	1.59	ChemAxon
pKa (Strongest Acidic)	3.83	ChemAxon
pKa (Strongest Basic)	9.26	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	130.08 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	138.19 m³·mol⁻¹	ChemAxon
Polarizability	55.8 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

Not Available

Chemspider ID

58132362

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

118720979

PDB ID

Not Available

ChEBI ID

189325

Good Scents ID

Not Available

References

General References

Schulze CJ, Bray WM, Loganzo F, Lam MH, Szal T, Villalobos A, Koehn FE, Linington RG: Borrelidin B: isolation, biological activity, and implications for nitrile biosynthesis. J Nat Prod. 2014 Nov 26;77(11):2570-4. doi: 10.1021/np500727g. Epub 2014 Nov 13. [PubMed:25393949 ]
Hamed A, Abdel-Razek AS, Frese M, Wibberg D, El-Haddad AF, Ibrahim TMA, Kalinowski J, Sewald N, Shaaban M: N-Acetylborrelidin B: a new bioactive metabolite from Streptomyces mutabilis sp. MII. Z Naturforsch C J Biosci. 2018 Jan 26;73(1-2):49-57. doi: 10.1515/znc-2017-0140. [PubMed:29055178 ]
LOTUS database [Link]

Showing NP-Card for (1r,2r)-2-[(2s,4e,6z,8r,9s,11r,13s,15s,16s)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid (NP0249580)

MOL for NP0249580 ((1r,2r)-2-[(2s,4e,6z,8r,9s,11r,13s,15s,16s)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid)

3D MOL for NP0249580 ((1r,2r)-2-[(2s,4e,6z,8r,9s,11r,13s,15s,16s)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid)

3D SDF for NP0249580 ((1r,2r)-2-[(2s,4e,6z,8r,9s,11r,13s,15s,16s)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid)

3D-SDF for NP0249580 ((1r,2r)-2-[(2s,4e,6z,8r,9s,11r,13s,15s,16s)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid)

PDB for NP0249580 ((1r,2r)-2-[(2s,4e,6z,8r,9s,11r,13s,15s,16s)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid)

3D PDB for NP0249580 ((1r,2r)-2-[(2s,4e,6z,8r,9s,11r,13s,15s,16s)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid)

SMILES for NP0249580 ((1r,2r)-2-[(2s,4e,6z,8r,9s,11r,13s,15s,16s)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid)

INCHI for NP0249580 ((1r,2r)-2-[(2s,4e,6z,8r,9s,11r,13s,15s,16s)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid)

Structure for NP0249580 ((1r,2r)-2-[(2s,4e,6z,8r,9s,11r,13s,15s,16s)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid)

3D Structure for NP0249580 ((1r,2r)-2-[(2s,4e,6z,8r,9s,11r,13s,15s,16s)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid)