Consensus flow list

2,2'-[(phosphonomethyl)imino]diacetic Acid

fo-5b5f2128179bbf9c

Identity

Type
NeutralMolecule
CAS
5994-61-6
EC
227-824-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2,2'-[(phosphonomethyl)imino]diacetic Acid

Alternative labels

12

Properties

PropertyValue
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

21

Where 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.org 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)

Open the changes page

Full record

Flow object JSON 
{
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