NP-MRD: Showing NP-Card for (5as,9s,9as)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydrospiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid (NP0279048)

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Record Information

Version

2.0

Created at

2022-09-09 04:17:42 UTC

Updated at

2022-09-09 04:17:42 UTC

NP-MRD ID

NP0279048

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(5as,9s,9as)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydrospiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid

Description

Koningic acid, also known as koningate or heptelidic acid, belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. (5as,9s,9as)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydrospiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid is found in Trichoderma koningii and Trichoderma virens. (5as,9s,9as)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydrospiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid was first documented in 2018 (PMID: 29721328). Based on a literature review a significant number of articles have been published on Koningic acid (PMID: 34563853) (PMID: 35866162) (PMID: 34264510) (PMID: 34214294) (PMID: 33379345) (PMID: 32681951).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 42  0  0  0  0  0  0  0  0999 V2000
   -1.4169   -2.1131    1.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0232   -1.0349    0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0303   -1.7146   -0.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9895   -0.2856   -0.5905 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6932    0.7486   -1.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7045    1.6285   -2.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0490    2.3773   -1.0415 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5905    3.5199   -0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5692    3.6150   -1.3005 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8817    1.3747   -0.3220 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6788    2.0006    0.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8455    3.2574    0.6375 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2402    1.3549    1.8272 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7476    0.0745    2.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2364   -0.9688    1.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0131   -2.1961    1.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -2.2766    1.7840 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6213   -3.2597    0.2757 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1322   -0.9078    0.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1384    0.2130    0.2321 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0187   -2.9647    0.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2632   -2.5291    1.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6989   -1.7096    1.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5986   -0.3646    0.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4548   -2.1981   -1.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5620   -2.5026   -0.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7042   -0.9373   -1.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5657   -1.0362   -1.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3105    1.4405   -0.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3364    0.2034   -2.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552    0.9876   -2.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2161    2.3142   -2.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5357    3.9128   -0.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4285    3.8428    0.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260    0.9683   -1.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8628    0.1176    1.9462 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5397   -0.2246    3.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0399   -3.3887   -0.6505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9711   -1.8093   -0.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1567    0.4705    1.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 20  1  0
 20 19  1  0
 19 15  2  0
 15 14  1  0
 14 13  1  0
 13 11  1  0
 11 12  2  0
 15 16  1  0
 16 18  1  0
 16 17  2  0
 20  4  1  0
  7  9  1  6
 11 10  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  6
  5 29  1  0
  5 30  1  0
  6 31  1  0
  6 32  1  0
  8 33  1  0
  8 34  1  0
 10 35  1  6
 20 40  1  1
 19 39  1  0
 14 36  1  0
 14 37  1  0
 18 38  1  0
M  END


  Mrv1652309092206172D          

 20 22  0  0  1  0            999 V2000
    1.3010    3.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0139    2.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2006    2.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5402    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3535    2.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8798    1.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5927    0.7793    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3662    0.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308   -0.0340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7794    0.6412    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6107   -0.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652   -0.6687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8742   -0.5381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1244   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0741    0.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8817    0.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4315    0.1603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1394    1.5591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4282    1.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2531    1.2766    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  6  0  0  0
  7 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  2  0  0  0  0
 11 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  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  2  0  0  0  0
 20 19  1  6  0  0  0
  4 20  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0279048

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C1CC[C@@]2(CO2)[C@@H]2[C@@H]1C=C(COC2=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H20O5/c1-8(2)10-3-4-15(7-20-15)12-11(10)5-9(13(16)17)6-19-14(12)18/h5,8,10-12H,3-4,6-7H2,1-2H3,(H,16,17)/t10?,11-,12-,15-/m1/s1

> <INCHI_KEY>
JESMSCGUTIEROV-NOFREYILSA-N

> <FORMULA>
C15H20O5

> <MOLECULAR_WEIGHT>
280.32

> <EXACT_MASS>
280.131073744

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
28.82548063370153

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5aS,9S,9aS)-1-oxo-6-(propan-2-yl)-3,5a,6,7,8,9a-hexahydro-1H-spiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid

> <JCHEM_LOGP>
1.7063111763333327

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.323190953322239

> <JCHEM_PKA_STRONGEST_BASIC>
-4.208074136131267

> <JCHEM_POLAR_SURFACE_AREA>
76.13

> <JCHEM_REFRACTIVITY>
70.8803

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(5aS,9S,9aS)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydrospiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic 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       2.429   6.456   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.893   5.013   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.374   4.755   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.875   3.827   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.393   4.084   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.376   2.898   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.840   1.455   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.283   0.919   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.098  -0.064   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       3.321   1.197   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.007  -0.311   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       4.228  -1.248   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       1.632  -1.004   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       0.232  -0.362   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.138   1.133   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.646   1.447   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -2.672   0.299   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -2.127   2.910   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       0.799   2.354   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.339   2.383   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   20                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   10                                             
CONECT    8    7    9                                                       
CONECT    9    8    7                                                       
CONECT   10    7   11   20                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   19                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   15   20                                                       
CONECT   20   19    4   10                                                  
MASTER        0    0    0    0    0    0    0    0   20    0   44    0
END

View in JSmol

Synonyms

Value	Source
Koningate	Generator
Heptelidic acid	MeSH

Chemical Formula

C₁₅H₂₀O₅

Average Mass

280.3200 Da

Monoisotopic Mass

280.13107 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)C1CC[C@@]2(CO2)[C@@H]2[C@@H]1C=C(COC2=O)C(O)=O

InChI Identifier

InChI=1S/C15H20O5/c1-8(2)10-3-4-15(7-20-15)12-11(10)5-9(13(16)17)6-19-14(12)18/h5,8,10-12H,3-4,6-7H2,1-2H3,(H,16,17)/t10?,11-,12-,15-/m1/s1

InChI Key

JESMSCGUTIEROV-NOFREYILSA-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
Trichoderma koningii	LOTUS Database	35616633
Trichoderma virens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Terpene lactones

Alternative Parents

Substituents

Terpene lactone
Sesquiterpenoid
Dicarboxylic acid or derivatives
Lactone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Ether
Oxirane
Dialkyl ether
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00016049

Chemspider ID

110781

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Koningic acid

METLIN ID

Not Available

PubChem Compound

124361

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Bansal R, Pachauri S, Gururajaiah D, Sherkhane PD, Khan Z, Gupta S, Banerjee K, Kumar A, Mukherjee PK: Dual role of a dedicated GAPDH in the biosynthesis of volatile and non-volatile metabolites- novel insights into the regulation of secondary metabolism in Trichoderma virens. Microbiol Res. 2021 Dec;253:126862. doi: 10.1016/j.micres.2021.126862. Epub 2021 Sep 9. [PubMed:34563853 ]
Canarelli SE, Swalm BM, Larson ET, Morrison MJ, Weerapana E: Monitoring GAPDH activity and inhibition with cysteine-reactive chemical probes. RSC Chem Biol. 2022 Jun 9;3(7):972-982. doi: 10.1039/d2cb00091a. eCollection 2022 Jul 6. [PubMed:35866162 ]
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Noh MAA, Fazalul Rahiman SS, A Wahab H, Mohd Gazzali A: Discovery of new targeting agents against GAPDH receptor for antituberculosis drug delivery. J Basic Clin Physiol Pharmacol. 2021 Jun 25;32(4):715-722. doi: 10.1515/jbcpp-2020-0435. [PubMed:34214294 ]
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LOTUS database [Link]

Showing NP-Card for (5as,9s,9as)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydrospiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid (NP0279048)

MOL for NP0279048 ((5as,9s,9as)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydrospiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid)

3D MOL for NP0279048 ((5as,9s,9as)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydrospiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid)

3D SDF for NP0279048 ((5as,9s,9as)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydrospiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid)

3D-SDF for NP0279048 ((5as,9s,9as)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydrospiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid)

PDB for NP0279048 ((5as,9s,9as)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydrospiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid)

3D PDB for NP0279048 ((5as,9s,9as)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydrospiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid)

SMILES for NP0279048 ((5as,9s,9as)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydrospiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid)

INCHI for NP0279048 ((5as,9s,9as)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydrospiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid)

Structure for NP0279048 ((5as,9s,9as)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydrospiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid)

3D Structure for NP0279048 ((5as,9s,9as)-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydrospiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid)