MiMeDB: Showing metabocard for 7,8-dihydroneopterin 3'-triphosphate (MMDBc0032165)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 02:05:08 UTC

Update Date

2022-08-31 18:31:04 UTC

Metabolite ID

MMDBc0032165

Metabolite Identification

Common Name

7,8-dihydroneopterin 3'-triphosphate

Description

7,8-dihydroneopterin 3'-triphosphate (DHNTP) is an intermediate in folate biosynthesis. It is converted from 2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine by dihydroneopterin triphosphate synthase (EC:3.5.4.16) (KEGG)

Structure

MOL SDF PDB SMILES InChI

      
  Mrv1533005291512162D          

 30 31  0  0  0  0            999 V2000
    1.7861    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6440    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6440    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861   -0.4125    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1986    0.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3736   -1.1269    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -0.4125    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8026    0.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6276   -1.1269    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9295    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6440   -0.4125    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0565    0.3019    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.2315   -1.1269    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3572    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.2375    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
  1  6  1  0  0  0  0
  5  7  1  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
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
  2 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  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 14 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  CHG  4  19  -1  23  -1  27  -1  28  -1
M  END

      
  Mrv1533005291512162D          

 30 31  0  0  0  0            999 V2000
    1.7861    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6440    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6440    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861   -0.4125    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1986    0.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3736   -1.1269    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -0.4125    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8026    0.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6276   -1.1269    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9295    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6440   -0.4125    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0565    0.3019    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.2315   -1.1269    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3572    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.2375    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
  1  6  1  0  0  0  0
  5  7  1  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
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
  2 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  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 14 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  CHG  4  19  -1  23  -1  27  -1  28  -1
M  END
> <DATABASE_ID>
MMDBc0032165

> <DATABASE_NAME>
MIME

> <SMILES>
NC1=NC(=O)C2=C(NCC(=N2)C(O)C(O)COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)/p-4

> <INCHI_KEY>
DGGUVLXVLHAAGT-UHFFFAOYSA-J

> <FORMULA>
C9H12N5O13P3

> <MOLECULAR_WEIGHT>
491.14

> <EXACT_MASS>
490.96664078

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
36.246714833036506

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
-4

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[3-(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)-2,3-dihydroxypropyl phosphonato]oxy}(phosphonatooxy)phosphinate

> <ALOGPS_LOGP>
-0.91

> <JCHEM_LOGP>
-4.302576778

> <ALOGPS_LOGS>
-1.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.531508536367726

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.897108707859545

> <JCHEM_PKA_STRONGEST_BASIC>
-1.470792421546086

> <JCHEM_POLAR_SURFACE_AREA>
303.46999999999997

> <JCHEM_REFRACTIVITY>
97.78889999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.02e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[3-(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)-2,3-dihydroxypropyl phosphonato]oxy(phosphonatooxy)phosphinate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-MAY-15   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-MAY-15         0                                  
HETATM    1  C   UNK     0       3.334   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.334   0.000   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       4.668  -0.770   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       6.002   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.002   1.540   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       4.668   2.310   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0       7.335   2.310   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       8.669   1.540   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       8.669   0.000   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       7.335  -0.770   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       7.335  -2.310   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0      10.003   2.310   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       2.001  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.667   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.667  -0.770   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -2.001   0.000   0.000  0.00  0.00           O+0
HETATM   17  P   UNK     0      -3.334  -0.770   0.000  0.00  0.00           P+0
HETATM   18  O   UNK     0      -4.104   0.564   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -2.564  -2.104   0.000  0.00  0.00           O-1
HETATM   20  O   UNK     0      -4.668  -1.540   0.000  0.00  0.00           O+0
HETATM   21  P   UNK     0      -6.002  -0.770   0.000  0.00  0.00           P+0
HETATM   22  O   UNK     0      -5.232   0.564   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -6.772  -2.104   0.000  0.00  0.00           O-1
HETATM   24  O   UNK     0      -7.335   0.000   0.000  0.00  0.00           O+0
HETATM   25  P   UNK     0      -8.669  -0.770   0.000  0.00  0.00           P+0
HETATM   26  O   UNK     0     -10.003  -1.540   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -9.439   0.564   0.000  0.00  0.00           O-1
HETATM   28  O   UNK     0      -7.899  -2.104   0.000  0.00  0.00           O-1
HETATM   29  O   UNK     0       0.667   1.540   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       2.001  -2.310   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   13                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9   12                                                  
CONECT    9    8   10                                                       
CONECT   10    9    4   11                                                  
CONECT   11   10                                                            
CONECT   12    8                                                            
CONECT   13    2   14   30                                                  
CONECT   14   13   15   29                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17   21                                                       
CONECT   21   20   22   23   24                                             
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   21   25                                                       
CONECT   25   24   26   27   28                                             
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   25                                                            
CONECT   29   14                                                            
CONECT   30   13                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   62    0
END

Synonyms

Value	Source
7,8-Dihydroneopterin 3'-triphosphoric acid	Generator

Molecular Formula

C₉H₁₂N₅O₁₃P₃

Average Mass

491.14

Monoisotopic Mass

490.96664078

IUPAC Name

{[3-(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)-2,3-dihydroxypropyl phosphonato]oxy}(phosphonatooxy)phosphinate

Traditional Name

[3-(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)-2,3-dihydroxypropyl phosphonato]oxy(phosphonatooxy)phosphinate

CAS Registry Number

Not Available

SMILES

NC1=NC(=O)C2=C(NCC(=N2)C(O)C(O)COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)N1

InChI Identifier

InChI=1S/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)/p-4

InChI Key

DGGUVLXVLHAAGT-UHFFFAOYSA-J

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Pterins and derivatives

Direct Parent

Biopterins and derivatives

Alternative Parents

Substituents

Biopterin
Aminopyrimidine
Secondary aliphatic/aromatic amine
Pyrimidone
Organic phosphoric acid derivative
Alkyl phosphate
Pyrimidine
Phosphoric acid ester
Heteroaromatic compound
Vinylogous amide
1,2-diol
Ketimine
Secondary alcohol
Azacycle
Secondary amine
Organic nitrogen compound
Alcohol
Primary amine
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Imine
Organic oxide
Organic oxygen compound
Amine
Organic anion
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

a small molecule (DIHYDRONEOPTERIN-P3 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	20.2 g/L	ALOGPS
logP	-0.91	ALOGPS
logP	-4.3	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	0.9	ChemAxon
pKa (Strongest Basic)	-1.5	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	303.47 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	97.79 m³·mol⁻¹	ChemAxon
Polarizability	36.25 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	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 LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-0000900000-8a545d680f1756e38c23	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01xx-0000900000-2766c5258dab230a190d	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0feb-7793400000-594351870587bdb6b15b	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-0000900000-f7c6c00ca0a678229441	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000f-4100900000-04d9785e596e41bd3d38	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-01si-9600000000-23b7f89c2bd7b56c798a	2015-09-15	View Spectrum

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

Metabolic Reactions

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	Proteobacteria	293	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool; Pig ; River trout ; Sheep ; Lion ; Chicken ; American dog tick ; Cattle ; Turkey ; Human sputum; Human subgingival plaque	Unknown
Bacteria	Firmicutes	117	Human feces; Human ; Catfish ; Cattle
Bacteria	Aquificae	4
Bacteria	Bacteroidetes	7	Human ; Human feces
Bacteria	Actinobacteria	26	Human ; Human feces; Cattle
Archaea/Archaea	Crenarchaeota	12
Bacteria	Chlorobi	3
Bacteria	Chloroflexi	3
Bacteria	Deinococcus-thermus	1
Bacteria	Fusobacteria	1	Human ; Human feces
Bacteria	Cyanobacteria	8
Bacteria	Spirochaetes	6	Human
Eukaryota/Fungi	Mucoromycota	1	Human feces
Bacteria	Planctomycetes	1
Archaea	Crenarchaeota	1
Eukaryota/Fungi	Ascomycota	4	Human feces; Human saliva	Unknown
Bacteria	nah	1
Bacteria	Nitrospirae	1
Bacteria	Verrucomicrobia	2	Human ; Human feces
Bacteria	Dictyoglomi	2
Bacteria	Thermotogae	9
Archaea/Archaea	Euryarchaeota	6

Exposure Sources

Source Type	Source Sub-type	Species	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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

57376516

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]
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 7,8-dihydroneopterin 3'-triphosphate (MMDBc0032165)

MOL for #<Metabolite:0x00007fecaf304410>

3D MOL for #<Metabolite:0x00007fecaf304410>

3D SDF for #<Metabolite:0x00007fecaf304410>

3D-SDF for #<Metabolite:0x00007fecaf304410>

PDB for #<Metabolite:0x00007fecaf304410>

3D PDB for #<Metabolite:0x00007fecaf304410>

SMILES for #<Metabolite:0x00007fecaf304410>

INCHI for #<Metabolite:0x00007fecaf304410>

Structure for #<Metabolite:0x00007fecaf304410>

3D Structure for #<Metabolite:0x00007fecaf304410>