Aspartyl-proline
PubChem CID
170612
Structure
Molecular Formula
Synonyms
- Aspartyl-proline
- Asp-pro
- 42155-95-3
- Aspartylproline
- (2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid
Molecular Weight
230.22 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-08
- Modify:2025-01-18
Description
Asp-Pro is a dipeptide.
Aspartyl-proline has been reported in Vicia faba with data available.
Chemical Structure Depiction
SVG Image
IUPAC Condensed
H-Asp-Pro-OH
Sequence
DP
PLN
H-DP-OH
HELM
PEPTIDE1{D.P}$$$$
IUPAC
L-alpha-aspartyl-L-proline
(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C9H14N2O5/c10-5(4-7(12)13)8(14)11-3-1-2-6(11)9(15)16/h5-6H,1-4,10H2,(H,12,13)(H,15,16)/t5-,6-/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
UKGGPJNBONZZCM-WDSKDSINSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1C[C@H](N(C1)C(=O)[C@H](CC(=O)O)N)C(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C9H14N2O5
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- Asp-Pro
- aspartyl-proline
- aspartylproline
- Aspartyl-proline
- Asp-pro
- 42155-95-3
- Aspartylproline
- (2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid
- L-Aspartyl-L-Proline
- (S)-1-((S)-2-Amino-3-carboxypropanoyl)pyrrolidine-2-carboxylic acid
- Aspartyl-L-proline
- SCHEMBL757253
- 1-L-alpha-aspartyl-L-Proline
- DTXSID50194988
- L-Proline, 1-L-alpha-aspartyl-
- CHEBI:137245
- NS00125696
- (2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
230.22 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
-3.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
230.09027155 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
230.09027155 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
121 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
16
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
317
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
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 2021.10.14)
Solid
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=UKGGPJNBONZZCM-WDSKDSINSA-N
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/L-α-Aspartyl-L-prolinehttps://commonchemistry.cas.org/detail?cas_rn=42155-95-3
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxAspartyl-prolinehttps://comptox.epa.gov/dashboard/DTXSID50194988CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- 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/citingAspartyl-L-prolinehttp://www.hmdb.ca/metabolites/HMDB0002335
- ChEBI
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/Aspartyl-prolinehttps://www.wikidata.org/wiki/Q83067864LOTUS 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/aboutAspartyl-L-prolinehttps://foodb.ca/compounds/FDB022967
- Japan Chemical Substance Dictionary (Nikkaji)
- KNApSAcK Species-Metabolite Database
- Metabolomics Workbench
- Protein Data Bank in Europe (PDBe)
- Springer Nature
- WikidataAspartyl-prolinehttps://www.wikidata.org/wiki/Q83067864
- PubChem
- 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.htmlaspartyl-prolinehttps://www.ncbi.nlm.nih.gov/mesh/67070752
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388322093https://pubchem.ncbi.nlm.nih.gov/substance/388322093
CONTENTS