Difference between revisions of "CPD-195"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=FMNH2 FMNH2] == * smiles: ** CC2(=CC1(NC3(C(=O)NC(=O)NC(N(CC(O)C(O)C(O)COP([O-])(=O)[O-])C=1C=C...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-195 CPD-195] == * smiles: ** CCCCCCCC(=O)[O-] * inchi key: ** InChIKey=WWZKQHOCKIZLMA-UHFFF...") |
||
| (One intermediate revision by the same user not shown) | |||
| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-195 CPD-195] == |
* smiles: | * smiles: | ||
| − | ** | + | ** CCCCCCCC(=O)[O-] |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M |
* common name: | * common name: | ||
| − | ** | + | ** octanoate |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 143.205 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** octanoate (n-C8:0) |
| − | ** | + | ** C-8 acid |
| + | ** n-caprylic acid | ||
| + | ** caprylic acid | ||
| + | ** capryloate | ||
| + | ** 1-heptanecarboxylic acid | ||
| + | ** neo-fat 8 | ||
| + | ** octanoic acid | ||
| + | ** n-octanoic acid | ||
| + | ** n-octic acid | ||
| + | ** octoic acid | ||
| + | ** n-octylic acid | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| + | * [[R223-RXN]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | * [[ | + | * [[R222-RXN]] |
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | * CAS : | + | * UM-BBD-CPD : c0047 |
| + | * NCI: | ||
| + | ** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=5024 5024] | ||
| + | * CAS : 124-07-2 | ||
| + | * BIGG : 48223 | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119389 119389] |
| − | * HMDB : | + | * HMDB : HMDB00482 |
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C06423 C06423] |
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.106634.html 106634] | ||
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25646 25646] |
| − | * | + | * METABOLIGHTS : MTBLC25646 |
| − | {{#set: smiles= | + | {{#set: smiles=CCCCCCCC(=O)[O-]}} |
| − | {{#set: inchi key=InChIKey= | + | {{#set: inchi key=InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M}} |
| − | {{#set: common name= | + | {{#set: common name=octanoate}} |
| − | {{#set: molecular weight= | + | {{#set: molecular weight=143.205 }} |
| − | {{#set: common name= | + | {{#set: common name=octanoate (n-C8:0)|C-8 acid|n-caprylic acid|caprylic acid|capryloate|1-heptanecarboxylic acid|neo-fat 8|octanoic acid|n-octanoic acid|n-octic acid|octoic acid|n-octylic acid}} |
| − | {{#set: produced by= | + | {{#set: consumed by=R223-RXN}} |
| + | {{#set: produced by=R222-RXN}} | ||
Latest revision as of 19:40, 21 March 2018
Contents
Metabolite CPD-195
- smiles:
- CCCCCCCC(=O)[O-]
- inchi key:
- InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M
- common name:
- octanoate
- molecular weight:
- 143.205
- Synonym(s):
- octanoate (n-C8:0)
- C-8 acid
- n-caprylic acid
- caprylic acid
- capryloate
- 1-heptanecarboxylic acid
- neo-fat 8
- octanoic acid
- n-octanoic acid
- n-octic acid
- octoic acid
- n-octylic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- UM-BBD-CPD : c0047
- NCI:
- CAS : 124-07-2
- BIGG : 48223
- PUBCHEM:
- HMDB : HMDB00482
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC25646
"CCCCCCCC(=O)[O-" cannot be used as a page name in this wiki.
