Compound
cocaine
No description recorded for this entry yet. Everything this graph holds about cocaine is below.
Structure
- Class
- Organic compound, cation
- Formula
- C17H22NO4
- Mass
- 304.366 g/mol
- Charge
- +1
- InChIKey
- ZPUCINDJVBIVPJ-LJISPDSOSA-O
- SMILES
- [H][C@]12CC[C@]([H])([C@@H](C(=O)OC)[C@@H](OC(=O)c3ccccc3)C1)[NH+]2C
- Look it up
- ChEBIBy InChIKey
Identity from ChEBI. Not evidence — none of it carries a grade.
What it touches on the way
A finding says cocaine moved an endpoint. This is the biology in between: the proteins and reactions it runs through to get there. It is where to look for the two things a list of findings cannot answer — why a result might happen, and what else acts on the same machinery.
4 of these are proteins with a page of their own, and that is the door: a protein page says what else it carries, which is how one compound leads to the next.
Mechanistic reach
4 entities
4 entities reached, most connected first. Hub metabolites are excluded, so this is not a claim that the compound touches everything.
0 reported hops4 assembled from the scaffold
What the reference databases state
The section above shows paths a projection assembled. This is the reference layer itself, one step from cocaine: what the cleared databases state it reacts with, is carried by, is converted to and takes part in, whether or not a projection has walked it yet.
Regulatory determinations
Published numbers and scores, transcribed from the body that issued them. A determination is not a finding and is not graded; it is the number, who set it, and the document it came from.
LiverTox likelihood score A [HD]LiverTox
LiverTox Likelihood Score A [HD] — well known, well described and well reported to cause liver injury. Hepatotoxic at overdose specifically, not at recommended use. Chapter: "Cocaine". Source: LiverTox Master List (NBK571102).
The document·Public Domain (NLM/NIH)·Transcribed, not graded
Statements
6 statements
6 statements in 2 reference databases name cocaine — Human-GEM, Rhea. Press a relation to see only its rows; every count is the rows behind it.
- cocaine is metabolised by CES1ProteinHuman-GEM MAR08643Inferred only
- cocaine is metabolised by CES2ProteinHuman-GEM MAR08643Inferred only
- cocaine is metabolised by CES2ProteinHuman-GEM MAR08645Inferred only
- cocaine is metabolised by CES2ProteinRhea RHEA:27506Inferred only
- cocaine is metabolised by CES3ProteinHuman-GEM MAR08643Inferred only
- cocaine is metabolised by CES5AProteinHuman-GEM MAR08643Inferred only
Other names
2 names
Every name this graph resolves to cocaine. Searching any of them lands here.
- Also called
- cocaine cation
- Systematic name
- (1R,2R,3S,5S)-3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane