Alanycarb
fo-ea094bf5c2a6412f
Identity
- Type
- NeutralMolecule
- CAS
- 83130-01-2
- EC
- —
- Origin
- ecoinvent-3.12 hybrid_name_cas_v1
- Changes
- 0 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
What it is used for
4
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| agrochemical CHEBI:33286 | An agrochemical is a substance that is used in agriculture or horticulture. | ChEBI |
| insecticide CHEBI:24852 | Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. | ChEBI |
| nematicide CHEBI:25491 | A substance used to destroy pests of the phylum Nematoda (roundworms). | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
Alternative labels
2- ethyl (3Z)-9-benzyl-3,7-dimethyl-6-oxo-5-oxa-2,8-dithia-4,7,9-triazadodec-3-en-12-oate
- ethyl N-benzyl-N-({methyl[({[(1Z)-1-(methylsulfanyl)ethylidene]amino}oxy)carbonyl]amino}sulfanyl)-beta-alaninate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | GMAUQNJOSOMMHI-JXAWBTAJSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3/b18-14- |
| Isomeric SMILES string chemrof:isomeric_smiles_string | CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)O/N=C(/C)SC |
| IUPAC name chemrof:IUPAC_name | ethyl (3Z)-9-benzyl-3,7-dimethyl-6-oxo-5-oxa-2,8-dithia-4,7,9-triazadodec-3-en-12-oate |
| Molecular formula chemrof:molecular_formula | C17H25N3O4S2 |
| Molecular mass chemrof:molecular_mass | 399.538 |
| Monoisotopic mass chemrof:monoisotopic_mass | 399.128648, 399.12865 |
| SMILES string chemrof:smiles_string | CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC |
Known URLs
4Where 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=83130-01-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38463 | enrich_references.chebi_id_link |
| KEGG | https://www.genome.jp/entry/C18414 | enrich_references.chebi_xrefs |
| ppdb | ppdb:18 | enrich_references.chebi_xrefs |
Elementary flows
7| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3ffbb19b97c4e22a69269f3ac6f197f08b34e06b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | ecoinvent algorithm addition | kg | 0 |
| 3eb956cf3cdfb0907cfaad954dc34625f52d8f59 | Environmental → Air → Unknown | ecoinvent algorithm addition | kg | 0 |
| 5764e5a862731806fe092e5b4de271d0b7008434 | Environmental → Ground → Agricultural | ecoinvent algorithm addition | kg | 0 |
| ea06be6c308be5c2ca893650cc0f4bc3449b2a32 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 00f3787acdb5db06958af276d60fb1665b19dea9 | Environmental → Ground → Unknown | ecoinvent algorithm addition | kg | 0 |
| 322bee93a0f9c50395f1e48d31a6c6be6c9a4bd3 | Environmental → Water → Surface water | ecoinvent algorithm addition | kg | 0 |
| 9928de30718ec5b82fe1b08e4952d859d90a01c0 | Environmental → Water → Unknown | ecoinvent algorithm addition | kg | 0 |
History
Everything that changed this substance (0 changes)
Full record
Flow object JSON
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