Aspartic Acid
fo-4b086445e36ad590
Identity
- Type
- Neutral molecule
- CAS
- 56-84-8
- EC
- 200-291-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
25- (+)-L-Aspartic acid
- (2S)-2-aminobutanedioic acid
- (S)-2-aminobutanedioic acid
- (S)-2-aminosuccinic acid
- (S)-Aminobutanedioic acid
- (S)-Aspartic acid
- 12: PN: WO2023056433 PAGE: 60 claimed sequence
- 2-Aminosuccinic acid
- 293: PN: WO2025117649 SEQID: 302 sequence
- 387: PN: WO2022056313 SEQID: 393 claimed protein
- 391: PN: WO2023172654 SEQID: 393 claimed sequence
- 8: PN: CN120157754 SEQID: 189 protein
- 8: PN: WO2025124489 SEQID: 189 protein
- Asparagic acid
- Asparaginic acid
- Aspartic acid, L-
- Butanedioic acid, amino-, (S)-
- H-Asp-OH
- L-(+)-Aspartic acid
- L-Aminosuccinic acid
- L-Asparagic acid
- L-Asparaginic acid
- L-Asparaginsaeure
- L-Aspartic acid
- MeSH ID: D001224
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | CKLJMWTZIZZHCS-REOHCLBHSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | N[C@@H](CC(=O)O)C(=O)O |
| IUPAC name chemrof:IUPAC_name | Aspartic Acid |
| Molecular formula chemrof:molecular_formula | C4H7NO4 |
| Molecular mass chemrof:molecular_mass | 133.103 |
| Monoisotopic mass chemrof:monoisotopic_mass | 133.037508, 133.03751 |
| SMILES string chemrof:smiles_string | NC(CC(=O)O)C(=O)O |
Known URLs
42Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=25608-40-6 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=56-84-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17053 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.265 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.126.882 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.170.911 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1439 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7022621 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00128 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00128 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1550 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1550 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL274323 | enrich_references.pubchem_identifier_url |
| ecmdb | ecmdb:ECMDB00191 | enrich_references.chebi_xrefs |
| femaflavor.org | https://www.femaflavor.org/flavor-library/l-aspartic-acid | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:3333 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/30KYC7MIAI | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0000191 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2922.49.49.15 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.169C | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00049 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00013 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C00049 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00013 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00001342 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37126 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=L-ASPARTATE | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29608 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:ASP | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA448494 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL274323 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/5960 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=071820 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11568288 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21359215 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22770225 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1723530 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1169 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q178450 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q7226155 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Aspartic_acid | enrich_references.pubchem_identifier_url |
| ymdb | ymdb:YMDB00896 | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0f409a67-937b-4f21-9fe8-4480b952e1ec | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 25cb566f-5f9a-4c13-a09e-12779b042f74 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 57cd8014-a315-480b-85e3-8df2d03962a2 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| b23977fa-2bfd-4fdf-ac01-fc188a8a7276 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 813fbcb2-3fe2-4a1b-a0fb-2294eec0d149 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 4c0b3ba8-64d8-4f72-a4b4-31ff79d59082 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 52f0a218-06a6-46fc-81cb-26da92bc0741 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 4da809b2-f15b-4c02-b8b6-e72f3f179195 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 98d9c94d-a87c-4df4-98f5-9e3e81dfbf86 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 88d543fb-1181-4626-b1c7-68f12f1d392e | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3d52d5e9-a27b-403b-ab69-8e60b316a316 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 9933eba8-a28f-4f7d-b26a-cc86a09a8999 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| d4851e54-ff61-49cc-b63e-c7997ae9220e | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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},
{
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},
{
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},
{
"@value": "H-Asp-OH",
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{
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},
{
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{
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{
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},
{
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{
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{
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"properties": {
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},
"https://w3id.org/chemrof/smiles_string": {
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"rdfs:label": "SMILES",
"@value": [
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"rdfs:label": "InChI",
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