N,n'-1,2-ethanediylbis-l-aspartic Acid
fo-25411b363ab04a65
Identity
- Type
- Neutral molecule
- CAS
- 20846-91-7
- EC
- 439-840-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 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
20- (S,S)-Ethylenediamine-N,N′-disuccinic acid
- (S,S)-Ethylenediaminedisuccinic acid
- (S,S)-Ethylenediaminesuccinic acid
- (S,S′)-Ethylenediamine-N,N′-disuccinic acid
- [S,S]-EDDS
- [S,S]-Ethylenediamine-N,N′-disuccinic acid
- Aspartic acid, N,N′-ethylenedi-
- Aspartic acid, N,N′-ethylenedi-, L,L-
- Chelest EDDS 4H
- EDDS
- EDSS
- Enviomet C 265
- Ethylenediamine-N,N′-disuccinic acid
- L-Aspartic acid, N,N′-1,2-ethanediylbis-
- L-Ethylenediaminedisuccinic acid
- N,N′-1,2-Ethanediylbis[L-aspartic acid]
- N,N′-Bis(1,2-dicarboxyethyl)ethylenediamine
- N,N′-Ethylenediaminedisuccinic acid
- N,N′-Ethylenediaspartic acid
- Natraquest E 30
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | VKZRWSNIWNFCIQ-WDSKDSINSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | O=C(O)C[C@H](NCCN[C@@H](CC(=O)O)C(=O)O)C(=O)O |
| IUPAC name chemrof:IUPAC_name | N,N′-1,2-Ethanediylbis[L-aspartic acid] |
| Molecular formula chemrof:molecular_formula | C10H16N2O8 |
| Molecular mass chemrof:molecular_mass | 292.244 |
| Monoisotopic mass chemrof:monoisotopic_mass | 292.090665 |
| SMILES string chemrof:smiles_string | O=C(O)CC(NCCNC(CC(=O)O)C(=O)O)C(=O)O |
Known URLs
10Where 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=20846-91-7 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.103.639 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.207.393 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1051852 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5085406 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5WK2FGJ113 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J96.967B | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/497266 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=154388 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q110189360 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e12235c9-201f-4526-baab-6a259ffc7a72 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| fd8756c6-db31-4bfd-be4f-65c158883c92 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 908b8656-2d48-41cd-b553-de89b43e73e4 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 1bded6fb-ee46-4473-b91c-9fd56251b878 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| cfb7017c-be1e-4f80-a99b-41d0fb28253c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 32cab56d-a826-4f54-865d-23b3d870c119 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 7d2954cc-a8c8-4204-a2a8-fe2044ad5eb4 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 5eb7a39f-75b1-4092-a585-0a4c7aea1691 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| d01c40c7-9e87-4da7-be51-6ee0112aaf23 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 5e7d9b7e-fe74-42c5-ad5f-1c0da13f9dce | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 5c0bd536-a8f6-4ca0-a233-04c826337d57 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 5ed9c399-c84f-4915-ba55-4c73749cf6ea | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 361c6856-854b-4b64-a3b2-4bdf1f48fca6 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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