MiMeDB: Showing metabocard for sulochrin (MMDBc0054669)

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-05 23:23:39 UTC

Update Date

2025-10-07 16:08:37 UTC

Metabolite ID

MMDBc0054669

Metabolite Identification

Common Name

sulochrin

Description

Sulochrin is a secondary metabolite belonging to the chemical class of naphthoquinones. Its chemical structure features a naphthalene ring system with multiple hydroxyl and methoxy substituents, contributing to its reactivity and biological activity. Sulochrin has been isolated from various fungal sources, including Aspergillus uvarum, where it was identified alongside other compounds such as methyl asterric acid and citreorosein (PMID:39257492 ). This compound has been implicated in several biochemical pathways, particularly as a partial agonist for aryl hydrocarbon receptors (AhR), influencing gene expression related to detoxification and immune responses (PMID:37245988 ). Additionally, methylsulochrin, a derivative of sulochrin, has demonstrated antiviral properties by inhibiting the production of hepatitis C virus (HCV) in Huh-7.5.1 cells and has been shown to suppress interleukin-6 production in RAW264.7 cells, indicating potential anti-inflammatory effects (PMID:37245988 ). The exploration of sulochrin and its derivatives could pave the way for novel therapeutic applications in antiviral and anti-inflammatory treatments, as suggested by preliminary structure-activity relationship studies (PMID:37245988 ).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004191518482D          

 24 25  0  0  0  0            999 V2000
    4.0472   -0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552    0.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6497   -0.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9089   -0.2236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5584   -2.9787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8425   -3.1084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7408   -3.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6356   -1.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1119   -1.6526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8439   -0.2014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5789    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3212    0.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  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
 10 13  2  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0054669

> <DATABASE_NAME>
MIME

> <SMILES>
COC(=O)C1=CC(O)=CC(OC)=C1C(=O)C1=C(O)C=C(C)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C17H16O7/c1-8-4-11(19)15(12(20)5-8)16(21)14-10(17(22)24-3)6-9(18)7-13(14)23-2/h4-7,18-20H,1-3H3

> <INCHI_KEY>
YJRLSCDUYLRBIZ-UHFFFAOYSA-N

> <FORMULA>
C17H16O7

> <MOLECULAR_WEIGHT>
332.308

> <EXACT_MASS>
332.089602855

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
32.43949053718889

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate

> <ALOGPS_LOGP>
2.51

> <JCHEM_LOGP>
4.181129976

> <ALOGPS_LOGS>
-3.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.654434594270415

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.944818582366095

> <JCHEM_PKA_STRONGEST_BASIC>
-4.893283443601314

> <JCHEM_POLAR_SURFACE_AREA>
113.29000000000002

> <JCHEM_REFRACTIVITY>
86.1059

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.39e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sulochrin

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0       7.555  -0.315   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       6.076   0.092   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.946  -1.027   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       3.563  -0.417   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       6.642  -5.560   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       1.573  -5.802   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.383  -7.401   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.186  -2.392   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -0.209  -3.085   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -1.575  -0.376   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.081   3.912   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       4.333   0.796   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   13                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   13                                                  
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13   10    5   14                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   23                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   16   24                                                  
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

Synonyms

Value	Source
Methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate	MeSH

Molecular Formula

C₁₇H₁₆O₇

Average Mass

332.308

Monoisotopic Mass

332.089602855

IUPAC Name

methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate

Traditional Name

sulochrin

CAS Registry Number

Not Available

SMILES

COC(=O)C1=CC(O)=CC(OC)=C1C(=O)C1=C(O)C=C(C)C=C1O

InChI Identifier

InChI=1S/C17H16O7/c1-8-4-11(19)15(12(20)5-8)16(21)14-10(17(22)24-3)6-9(18)7-13(14)23-2/h4-7,18-20H,1-3H3

InChI Key

YJRLSCDUYLRBIZ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzophenones

Direct Parent

Benzophenones

Alternative Parents

Substituents

Benzophenone
Diphenylmethane
Aryl-phenylketone
M-hydroxybenzoic acid ester
M-methoxybenzoic acid or derivatives
Methoxyphenol
Benzoate ester
Benzoic acid or derivatives
M-cresol
Anisole
Phenoxy compound
Benzoyl
Phenol ether
Resorcinol
Aryl ketone
Methoxybenzene
Phenol
Alkyl aryl ether
Toluene
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Methyl ester
Vinylogous acid
Ketone
Carboxylic acid ester
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Ether
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

benzophenones (CHEBI:16159 )
carboxylic ester (CHEBI:16159 )
phenols (CHEBI:16159 )
a chalcone (SULOCHRIN )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.064 g/L	ALOGPS
logP	2.51	ALOGPS
logP	4.18	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	6.94	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	113.29 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	86.11 m³·mol⁻¹	ChemAxon
Polarizability	32.44 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	Not Available	2022-08-09	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	Not Available	2022-08-09	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	Not Available	2022-08-09	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	Not Available	2022-08-09	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	Not Available	2022-08-09	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	Not Available	2022-08-09	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-24	32.3
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (void)	2025-10-24	24.0
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	519.7
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	785.7
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	760.9
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	323.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	2819.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (void)	2025-10-24	75.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	380.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	404.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (void)	2025-10-24	182.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	180.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	161.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (void)	2025-10-24	115.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	365.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	251.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	535.0
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	1697.9
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	1237.7

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	sulochrin_TMS_1	COC(=O)C1=CC(O[Si](C)(C)C)=CC(OC)=C1C(=O)C1=C(O)C=C(C)C=C1O	standard non polar	2025-10-24	1503.74
Gas Chromatography	sulochrin_TMS_2	COC(=O)C1=CC(O)=CC(OC)=C1C(=O)C1=C(O)C=C(C)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	2338.43
Gas Chromatography	sulochrin_TMS_3	COC(=O)C1=CC(O[Si](C)(C)C)=CC(OC)=C1C(=O)C1=C(O)C=C(C)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	2881.15
Gas Chromatography	sulochrin_TMS_4	COC(=O)C1=CC(O)=CC(OC)=C1C(=O)C1=C(O[Si](C)(C)C)C=C(C)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	1939.92
Gas Chromatography	sulochrin_TMS_5	COC(=O)C1=CC(O[Si](C)(C)C)=CC(OC)=C1C(=O)C1=C(O[Si](C)(C)C)C=C(C)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	1819.97
Gas Chromatography	sulochrin_TMS_1	COC(=O)C1=CC(O[Si](C)(C)C)=CC(OC)=C1C(=O)C1=C(O)C=C(C)C=C1O	standard polar	2025-10-24	2226.98
Gas Chromatography	sulochrin_TMS_2	COC(=O)C1=CC(O)=CC(OC)=C1C(=O)C1=C(O)C=C(C)C=C1O[Si](C)(C)C	standard polar	2025-10-24	1856.51
Gas Chromatography	sulochrin_TMS_3	COC(=O)C1=CC(O[Si](C)(C)C)=CC(OC)=C1C(=O)C1=C(O)C=C(C)C=C1O[Si](C)(C)C	standard polar	2025-10-24	2391.98
Gas Chromatography	sulochrin_TMS_4	COC(=O)C1=CC(O)=CC(OC)=C1C(=O)C1=C(O[Si](C)(C)C)C=C(C)C=C1O[Si](C)(C)C	standard polar	2025-10-24	3014.21
Gas Chromatography	sulochrin_TMS_5	COC(=O)C1=CC(O[Si](C)(C)C)=CC(OC)=C1C(=O)C1=C(O[Si](C)(C)C)C=C(C)C=C1O[Si](C)(C)C	standard polar	2025-10-24	2896.6

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	5	Human feces	Microbial culture

Exposure Sources

Other Exposures

Source Type	Data Source	Reference
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

C00000572

Chemspider ID

Not Available

KEGG Compound ID

C00495

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

160505

PDB ID

Not Available

ChEBI ID

16159

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

YJRLSCDUYLRBIZ-UHFFFAOYSA-N

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for sulochrin (MMDBc0054669)

MOL for #<Metabolite:0x00007f9a84318640>

3D MOL for #<Metabolite:0x00007f9a84318640>

3D SDF for #<Metabolite:0x00007f9a84318640>

3D-SDF for #<Metabolite:0x00007f9a84318640>

PDB for #<Metabolite:0x00007f9a84318640>

3D PDB for #<Metabolite:0x00007f9a84318640>

SMILES for #<Metabolite:0x00007f9a84318640>

INCHI for #<Metabolite:0x00007f9a84318640>

Structure for #<Metabolite:0x00007f9a84318640>

3D Structure for #<Metabolite:0x00007f9a84318640>