2,2'-[(phosphonomethyl)imino]diacetic Acid
fo-5b5f2128179bbf9c
Identity
- Type
- Neutral molecule
- CAS
- 5994-61-6
- EC
- 227-824-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
12- (Carboxymethyl-phosphonomethyl-amino)-acetic acid
- 2,2′-[(Phosphonomethyl)imino]diacetic acid
- 2-[Carboxymethyl(phosphonomethyl)amino]acetic acid
- Acetic acid, [(phosphonomethyl)imino]di-
- Aminomethylphosphonic N,N-diacetic acid
- Glycine, N-(carboxymethyl)-N-(phosphonomethyl)-
- N-(Carboxymethyl)-N-(phosphonomethyl)glycine
- N-(Phosphonomethyl)iminodiacetic acid
- Nitrilodiacetic acid methylphosphonic acid
- Nitrilotris(methylene) triphonic acid
- Phosphonomethyliminodiacetic acid
- PMIDA
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | AZIHIQIVLANVKD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H10NO7P/c7-4(8)1-6(2-5(9)10)3-14(11,12)13/h1-3H2,(H,7,8)(H,9,10)(H2,11,12,13) |
| IUPAC name chemrof:IUPAC_name | 2,2'-[(phosphonomethyl)imino]diacetic Acid |
| Molecular formula chemrof:molecular_formula | C5H10NO7P |
| Molecular mass chemrof:molecular_mass | 227.109 |
| Monoisotopic mass chemrof:monoisotopic_mass | 227.019488, 227.01949 |
| SMILES string chemrof:smiles_string | O=C(O)CN(CC(=O)O)CP(=O)(O)O |
Known URLs
21Where 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=5994-61-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63485 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.025.294 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3027611 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5396533 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AN335F415X | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J223.930B | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=62812 | enrich_references.pubchem_identifier_url |
| patent | patent:CN101602779 | enrich_references.chebi_xrefs |
| patent | patent:CN101619076 | enrich_references.chebi_xrefs |
| patent | patent:CN101648969 | enrich_references.chebi_xrefs |
| patent | patent:EP0439445 | enrich_references.chebi_xrefs |
| patent | patent:EP0464017 | enrich_references.chebi_xrefs |
| patent | patent:WO9324611 | enrich_references.chebi_xrefs |
| patent | patent:WO9640698 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/80092 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18962615 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22043012 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9057299 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1795744 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27132653 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ceeaba8a-6f30-48bb-aeac-aac8b28c3bbe | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 0b3e0611-07dd-4045-884a-003421596be9 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 6a62141d-2376-4981-821f-6716b2b80c84 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| b7bcb02b-9813-47cc-bad2-de7c89b41055 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 512224af-4182-47f6-b25a-a541482ffc94 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 1eb4f6ca-c6f9-4bee-b7ce-decf000aba18 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 5b46e138-b96f-43de-a4d5-887d78dd8712 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| a2266f1e-be4a-4a9a-9631-2f703b109554 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| e518c725-a6ba-4292-ad9e-51675bae4ff2 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 0eb86a1f-2a27-4a3d-a4eb-466bbe68078a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e8d10078-6b61-42f2-aebd-7718d7676b95 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| f2363273-d75b-4815-992e-e2954396f272 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 02ab8f3a-02ce-4a23-877c-43829be2fb2c | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works