N-[2-hydroxy-1-(hydroxymethyl)heptadecyl]-9-octadecenamide
fo-50550d78675e6466
Identity
- Type
- Neutral molecule
- CAS
- 54422-45-6
- EC
- 416-630-8
- 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
6- (9Z)-N-[2-Hydroxy-1-(hydroxymethyl)heptadecyl]-9-octadecenamide
- 2-Oleamido-1,3-octadecanediol
- 9-Octadecenamide, N-[2-hydroxy-1-(hydroxymethyl)heptadecyl]-, (9Z)-
- 9-Octadecenamide, N-[2-hydroxy-1-(hydroxymethyl)heptadecyl]-, (Z)-
- Mexanyl GX
- Mexanyl GZ
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | MJQIARGPQMNBGT-ZCXUNETKSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,34-35,38-39H,3-16,19-33H2,1-2H3,(H,37,40)/b18-17- |
| Isomeric SMILES string chemrof:isomeric_smiles_string | CCCCCCCC/C=C\CCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCC |
| IUPAC name chemrof:IUPAC_name | (9Z)-N-[2-Hydroxy-1-(hydroxymethyl)heptadecyl]-9-octadecenamide |
| Molecular formula chemrof:molecular_formula | C36H71NO3 |
| Molecular mass chemrof:molecular_mass | 565.968 |
| Monoisotopic mass chemrof:monoisotopic_mass | 565.543395 |
| SMILES string chemrof:smiles_string | CCCCCCCCC=CCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCC |
Known URLs
9Where 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=54422-45-6 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.101.554 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.121.820 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID601021255 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/30D478BUNR | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J670.523E | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6442401 | enrich_references.pubchem_compound |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1921548 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q27255945 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 95ac9612-464f-46c4-b09d-a5ba12583bbd | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| d9c329f4-9f02-481e-baae-0cbee6807ab7 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 1d613877-fe3f-4a03-bbfc-0a22493ddd5e | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 99504a5a-6dff-4c30-9b45-d0f9394c6fc7 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ab55caee-8276-439f-997e-d647bf92d423 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| e2fa05a4-13c7-490d-b51f-6f3fe3f5cd85 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 20c820fa-9c0e-4e13-b980-e2cf106d6d2a | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 7c7b20a8-6b91-4c12-9712-f80c2e2f075b | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 859335a6-06e0-4c44-a87f-5497fa426595 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| e1ab1014-2ae2-4b49-a1e9-5873c0ac0a72 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 5d27cd9a-5a85-4687-ab5c-259b8df0b379 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ee13ea9a-6601-4d83-842a-7294d0b4823e | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| bf45c153-14a4-41c9-9822-4927c7be8fbe | 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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