D-Monapterin
PubChem CID
135460965
Structure
Molecular Formula
Synonyms
- D-Threo-neopterin
- Umanopterin
- Monapterin
- D-Threo-monapterin
- D-MONAPTERIN
Molecular Weight
253.22 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2019-01-15
- Modify:2025-01-11
Description
Umanopterin is a member of biopterins.
D-Monapterin has been reported in Tetrahymena pyriformis with data available.
Chemical Structure Depiction
2-amino-6-[(1R,2R)-1,2,3-trihydroxypropyl]-3H-pteridin-4-one
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6-/m1/s1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
BMQYVXCPAOLZOK-INEUFUBQSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C1=C(N=C2C(=O)NC(=NC2=N1)N)[C@H]([C@@H](CO)O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C9H11N5O4
Computed by PubChem 2.1 (PubChem release 2019.06.18)
- 2-Amino-6-(1,2,3-trihydroxypropyl)-4(3H)-pteridinone
- Monapterin
- Neopterin
- Neopterin, (erythro-D)-Isomer
- Neopterin, (erythro-L)-Isomer
- Neopterin, (R*, R*)-Isomer
- Neopterin, (threo-D)-Isomer
- Neopterin, (threo-L)-Isomer
- Umanopterin
- D-Threo-neopterin
- Umanopterin
- Monapterin
- D-Threo-monapterin
- D-MONAPTERIN
- Neopterin, D-threo-
- Monapterin, D-(-)-
- 26C7CRZ5LJ
- Neopterin D-threo-form [MI]
- 10162-32-0
- UNII-26C7CRZ5LJ
- 2-amino-6-[(1R,2R)-1,2,3-trihydroxypropyl]-3H-pteridin-4-one
- 4(1H)-Pteridinone, 2-amino-6-((1R,2R)-1,2,3-trihydroxypropyl)-
- 6-D-threo-Monapterin
- D-(-)-Monapterin
- D-6-(threo-1',2',3'-Trihydroxypropyl)pterin
- Neopterin D-threo-form
- 1br5
- SCHEMBL59520
- CHEBI:179056
- DB02385
- NS00099293
- 2-amino-6-(D-threo-trihydroxypropyl)-4(3H)-Pteridinone
- 2-amino-6-[(1R,2R)-1,2,3-trihydroxypropyl]pteridin-4(3H)-one
- 2-amino-6-[(1R,2R)-1,2,3-trihydroxypropyl]-1,4-dihydropteridin-4-one
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
253.22 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
-3.5
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
5
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
253.08110385 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
253.08110385 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
154 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
363
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
2
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
Solid
Pharmaceuticals -> Listed in ZINC15
S55 | ZINC15PHARMA | Pharmaceuticals from ZINC15 | DOI:10.5281/zenodo.3247749
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Isotope Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/D-(-)-Monapterinhttps://commonchemistry.cas.org/detail?cas_rn=10162-32-0
- ChemIDplusNeopterin, D-threo-https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0010162320ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DrugBankLICENSECreative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode)https://www.drugbank.ca/legal/terms_of_useD-threo-neopterinhttps://www.drugbank.ca/drugs/DB02385
- EPA DSSToxD-threo-Neopterinhttps://comptox.epa.gov/dashboard/DTXSID30276498CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingNEOPTERIN, D-THREO-https://gsrs.ncats.nih.gov/ginas/app/beta/substances/26C7CRZ5LJ
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citingUmanopterinhttp://www.hmdb.ca/metabolites/HMDB0000877
- ChEBI
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/D-Monapterinhttps://www.wikidata.org/wiki/Q72578879LOTUS Treehttps://lotus.naturalproducts.net/
- FooDBLICENSEFooDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (FooDB) and the original publication.https://foodb.ca/aboutUmanopterinhttps://foodb.ca/compounds/FDB022295
- Japan Chemical Substance Dictionary (Nikkaji)
- Metabolomics Workbench
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NeopterinNORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- Protein Data Bank in Europe (PDBe)
- RCSB Protein Data Bank (RCSB PDB)LICENSEData files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data.https://www.rcsb.org/pages/policies
- WikidataD-threo-neopterinhttps://www.wikidata.org/wiki/Q72578879
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS