Asp-His
PubChem CID
9856673
Structure
Molecular Formula
Synonyms
- Asp-His
- L-Asp-L-His
- CHEBI:73451
- L-Aspartyl-L-Histidine
- L-alpha-aspartyl-L-histidine
Molecular Weight
270.24 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2006-10-25
- Modify:2025-01-18
Description
Asp-His is a dipeptide composed of L-aspartic acid and L-histidine joined by a peptide linkage. It has a role as a metabolite. It is functionally related to a L-aspartic acid and a L-histidine.
Asp-His has been reported in Arabidopsis thaliana with data available.
Chemical Structure Depiction
SVG Image
IUPAC Condensed
H-Asp-His-OH
Sequence
DH
PLN
H-DH-OH
HELM
PEPTIDE1{D.H}$$$$
IUPAC
L-alpha-aspartyl-L-histidine
(3S)-3-amino-4-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-4-oxobutanoic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C10H14N4O5/c11-6(2-8(15)16)9(17)14-7(10(18)19)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,17)(H,15,16)(H,18,19)/t6-,7-/m0/s1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
HSPSXROIMXIJQW-BQBZGAKWSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C10H14N4O5
Computed by PubChem 2.1 (PubChem release 2019.06.18)
- Asp-His
- L-Asp-L-His
- CHEBI:73451
- L-Aspartyl-L-Histidine
- L-alpha-aspartyl-L-histidine
- (3S)-3-amino-4-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-4-oxobutanoic acid
- (3S)-3-amino-4-(((1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl)amino)-4-oxobutanoic acid
- histidine, alpha-aspartyl-
- CHEMBL333984
- SCHEMBL3080046
- DH
- Q27140536
- D-H
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
270.24 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
-4.4
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
7
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
270.09641956 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
270.09641956 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
158 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
19
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
362
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 2010.01.29)
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 Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=HSPSXROIMXIJQW-BQBZGAKWSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- ChEBI
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/LOTUS Treehttps://lotus.naturalproducts.net/
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- IUPAC Digitized pKa Datasethistidine, α-aspartyl-https://github.com/IUPAC/Dissociation-Constants
- Japan Chemical Substance Dictionary (Nikkaji)
- Metabolomics Workbench
- Springer Nature
- Wikidata
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 391115082https://pubchem.ncbi.nlm.nih.gov/substance/391115082
CONTENTS