MiMeDB: Showing metabocard for Ribose-1-arsenate (MMDBc0032065)

Plant

Animal

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-18 02:00:44 UTC

Update Date

2025-11-05 17:13:03 UTC

Metabolite ID

MMDBc0032065

Metabolite Identification

Common Name

Ribose-1-arsenate

Description

Ribose-1-arsenate is a chemical class of arsenic-containing ribonucleoside phosphates. Its chemical structure features a ribose sugar linked to an arsenate group at the 1-position, making it a key intermediate in arsenic metabolism. In biochemical pathways, ribose-1-arsenate is generated through the action of purine nucleoside phosphorylase (PNP), which cleaves inosine in the presence of arsenate (AsV), yielding hypoxanthine and ribose-1-arsenate (PMID:19478237 ). Although PNP is inhibited, ribose-1-arsenate can still be formed and subsequently reduced to arsenite (AsIII) by reducing agents such as dithiothreitol (DTT), indicating its role as a precursor in the reduction pathway of arsenate (PMID:19478237 ). The compound's stability is limited, with a short half-life of approximately 4 minutes, suggesting rapid turnover in biological systems (PMID:19478237 ). Additionally, various thiols have been shown to support the reduction of AsV when ribose-1-arsenate is present, highlighting its involvement in arsenic biochemistry and potential interactions with cellular thiol pools (PMID:19478237 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 02241203542D          

 14 14  0  0  0  0            999 V2000
   11.7223  -10.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4674   -9.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9518   -8.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4674   -8.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6827   -8.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2616   -8.2803    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   11.1702  -10.9072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7767   -8.8423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7223   -7.3902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9260   -7.5267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5972   -9.0340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5079   -8.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6827   -9.2548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0152   -7.9447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 14  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0032065

> <DATABASE_NAME>
MIME

> <SMILES>
OCC1OC(O[As](O)(O)=O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C5H11AsO8/c7-1-2-3(8)4(9)5(13-2)14-6(10,11)12/h2-5,7-9H,1H2,(H2,10,11,12)

> <INCHI_KEY>
RYJJOMQPAAUFBF-UHFFFAOYSA-N

> <FORMULA>
C5H11AsO8

> <MOLECULAR_WEIGHT>
274.0576

> <EXACT_MASS>
273.966988745

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
19.49923026237424

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}arsonic acid

> <ALOGPS_LOGP>
-1.94

> <JCHEM_LOGP>
-2.5046

> <ALOGPS_LOGS>
-0.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.93490792265432

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.8394227440880986

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981146014940057

> <JCHEM_POLAR_SURFACE_AREA>
136.68

> <JCHEM_REFRACTIVITY>
35.318599999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.28e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      21.882 -19.216   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      21.406 -17.752   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      22.310 -16.506   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      21.406 -15.260   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      19.941 -15.736   0.000  0.00  0.00           C+0
HETATM    6 As   UNK     0      17.288 -15.457   0.000  0.00  0.00          As+0
HETATM    7  O   UNK     0      20.851 -20.360   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      23.850 -16.506   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      21.882 -13.795   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      16.662 -14.050   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      17.915 -16.863   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      15.881 -16.083   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      19.941 -17.276   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      18.695 -14.830   0.000  0.00  0.00           O+0
CONECT    1    7    2                                                       
CONECT    2    1    3   13                                                  
CONECT    3    2    8    4                                                  
CONECT    4    3    9    5                                                  
CONECT    5    4   13   14                                                  
CONECT    6   14   10   11   12                                             
CONECT    7    1                                                            
CONECT    8    3                                                            
CONECT    9    4                                                            
CONECT   10    6                                                            
CONECT   11    6                                                            
CONECT   12    6                                                            
CONECT   13    2    5                                                       
CONECT   14    5    6                                                       
MASTER        0    0    0    0    0    0    0    0   14    0   28    0
END

Synonyms

Value	Source
Ribose-1-arsenic acid	Generator

Molecular Formula

C₅H₁₁AsO₈

Average Mass

274.0576

Monoisotopic Mass

273.966988745

IUPAC Name

{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}arsonic acid

Traditional Name

[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyarsonic acid

CAS Registry Number

Not Available

SMILES

OCC1OC(O[As](O)(O)=O)C(O)C1O

InChI Identifier

InChI=1S/C5H11AsO8/c7-1-2-3(8)4(9)5(13-2)14-6(10,11)12/h2-5,7-9H,1H2,(H2,10,11,12)

InChI Key

RYJJOMQPAAUFBF-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Pentoses

Alternative Parents

Substituents

Pentose monosaccharide
Organic arsenate
Tetrahydrofuran
Secondary alcohol
Oxacycle
Organic metalloid salt
Organoheterocyclic compound
Organic oxide
Hydrocarbon derivative
Organic salt
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	128 g/L	ALOGPS
logP	-1.9	ALOGPS
logP	-2.5	ChemAxon
logS	-0.33	ALOGPS
pKa (Strongest Acidic)	2.84	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	136.68 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	35.32 m³·mol⁻¹	ChemAxon
Polarizability	19.5 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	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 (Non-derivatized) - 70eV, Positive	splash10-0abc-9520000000-a0c65c4bcea599ae5ea9	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive	splash10-0fmi-5943500000-caf6aec749d30685eb6f	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00di-1490000000-9d293addb7286ab37fcc	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-006x-2960000000-c78724961bd6dbd7e4c7	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0007-9500000000-cbdffb5ae5beabebf7c0	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00di-0590000000-cdd92ccad8b8d1e28ba7	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0005-9630000000-c5a127a86ee73b559ec5	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00dl-5900000000-219bdb7e0df5599a5350	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-01c0-0940000000-b7e4f6d8c0280bd3a0ae	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0n93-9700000000-0e1fa8b64423c277fb01	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4m-9100000000-e109937fdcb817890707	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00di-0490000000-250adfd2ba1261afeb8e	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00di-1900000000-d27a5fa919b88db004d0	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00dl-4900000000-03a5f40c19a1b8064de5	2021-09-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	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)	2025-10-23	419.0
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	251.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	49.7
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	238.7
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	277.4
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	295.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	704.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	700.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	781.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	161.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	349.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	174.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	44.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	342.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	570.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	62.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	231.7
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	819.2
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	587.6

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Ribose-1-arsenate_TMS_1	C[Si](C)(C)OCC1OC(O[As](=O)(O)O)C(O)C1O	standard non polar	2025-10-24	1713.44
Gas Chromatography	Ribose-1-arsenate_TMS_2	C[Si](C)(C)OC1C(O[As](=O)(O)O)OC(CO)C1O	standard non polar	2025-10-24	1968.93
Gas Chromatography	Ribose-1-arsenate_TMS_3	C[Si](C)(C)OC1C(CO)OC(O[As](=O)(O)O)C1O	standard non polar	2025-10-24	1509.17
Gas Chromatography	Ribose-1-arsenate_TMS_4	C[Si](C)(C)OCC1OC(O[As](=O)(O)O)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-24	2323.95
Gas Chromatography	Ribose-1-arsenate_TMS_5	C[Si](C)(C)OCC1OC(O[As](=O)(O)O)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1575.37
Gas Chromatography	Ribose-1-arsenate_TMS_6	C[Si](C)(C)OC1C(CO)OC(O[As](=O)(O)O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1771.29
Gas Chromatography	Ribose-1-arsenate_TMS_7	C[Si](C)(C)OCC1OC(O[As](=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	2081.67
Gas Chromatography	Ribose-1-arsenate_TMS_1	C[Si](C)(C)OCC1OC(O[As](=O)(O)O)C(O)C1O	standard polar	2025-10-24	2116.83
Gas Chromatography	Ribose-1-arsenate_TMS_2	C[Si](C)(C)OC1C(O[As](=O)(O)O)OC(CO)C1O	standard polar	2025-10-24	2339.19
Gas Chromatography	Ribose-1-arsenate_TMS_3	C[Si](C)(C)OC1C(CO)OC(O[As](=O)(O)O)C1O	standard polar	2025-10-24	2295.99
Gas Chromatography	Ribose-1-arsenate_TMS_4	C[Si](C)(C)OCC1OC(O[As](=O)(O)O)C(O[Si](C)(C)C)C1O	standard polar	2025-10-24	1938.44
Gas Chromatography	Ribose-1-arsenate_TMS_5	C[Si](C)(C)OCC1OC(O[As](=O)(O)O)C(O)C1O[Si](C)(C)C	standard polar	2025-10-24	1901.53
Gas Chromatography	Ribose-1-arsenate_TMS_6	C[Si](C)(C)OC1C(CO)OC(O[As](=O)(O)O)C1O[Si](C)(C)C	standard polar	2025-10-24	2182.36
Gas Chromatography	Ribose-1-arsenate_TMS_7	C[Si](C)(C)OCC1OC(O[As](=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	2477.71

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
Arsenate Detoxification

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
Bacteria/Eubacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal	Unknown

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

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

External Links

HMDB ID

HMDB0012285

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB028915

KNApSAcK ID

Not Available

Chemspider ID

35032430

KEGG Compound ID

Not Available

BioCyc ID

RIBOSE-1-ARSENATE

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25201247

PDB ID

Not Available

ChEBI ID

169630

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Sajed T, Marcu A, Ramirez M, Pon A, Guo AC, Knox C, Wilson M, Grant JR, Djoumbou Y, Wishart DS: ECMDB 2.0: A richer resource for understanding the biochemistry of E. coli. Nucleic Acids Res. 2016 Jan 4;44(D1):D495-501. doi: 10.1093/nar/gkv1060. Epub 2015 Oct 19. [PubMed:26481353 ]

Showing metabocard for Ribose-1-arsenate (MMDBc0032065)

MOL for #<Metabolite:0x00007f9ac4766d88>

3D MOL for #<Metabolite:0x00007f9ac4766d88>

3D SDF for #<Metabolite:0x00007f9ac4766d88>

3D-SDF for #<Metabolite:0x00007f9ac4766d88>

PDB for #<Metabolite:0x00007f9ac4766d88>

3D PDB for #<Metabolite:0x00007f9ac4766d88>

SMILES for #<Metabolite:0x00007f9ac4766d88>

INCHI for #<Metabolite:0x00007f9ac4766d88>

Structure for #<Metabolite:0x00007f9ac4766d88>

3D Structure for #<Metabolite:0x00007f9ac4766d88>