Difference between revisions of "CPD-195"
From metabolic_network
(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...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCCCCCCC(=O)[O-] | ** CCCCCCCC(=O)[O-] | ||
| + | * molecular weight: | ||
| + | ** 143.205 | ||
* inchi key: | * inchi key: | ||
** InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M | ** InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M | ||
* common name: | * common name: | ||
** octanoate | ** octanoate | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** octanoate (n-C8:0) | ** octanoate (n-C8:0) | ||
| Line 30: | Line 30: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
| − | |||
* METABOLIGHTS : MTBLC25646 | * METABOLIGHTS : MTBLC25646 | ||
| − | * | + | * BIGG : octa |
| − | + | ||
| − | + | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C06423 C06423] | ** [http://www.genome.jp/dbget-bin/www_bget?C06423 C06423] | ||
| + | * HMDB : HMDB00482 | ||
| + | * UM-BBD-CPD : c0047 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.106634.html 106634] | ** [http://www.chemspider.com/Chemical-Structure.106634.html 106634] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25646 25646] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25646 25646] | ||
| − | * | + | * CAS : 124-07-2 |
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119389 119389] | ||
| + | * NCI: | ||
| + | ** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=5024 5024] | ||
{{#set: smiles=CCCCCCCC(=O)[O-]}} | {{#set: smiles=CCCCCCCC(=O)[O-]}} | ||
| + | {{#set: molecular weight=143.205 }} | ||
{{#set: inchi key=InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M}} | {{#set: inchi key=InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M}} | ||
{{#set: common name=octanoate}} | {{#set: common name=octanoate}} | ||
| − | |||
{{#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: 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: consumed by=RXN0-5098|R223-RXN}} | {{#set: consumed by=RXN0-5098|R223-RXN}} | ||
{{#set: produced by=R222-RXN}} | {{#set: produced by=R222-RXN}} | ||
Latest revision as of 18:20, 9 January 2019
Contents
Metabolite CPD-195
- smiles:
- CCCCCCCC(=O)[O-]
- molecular weight:
- 143.205
- inchi key:
- InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M
- common name:
- octanoate
- 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
- METABOLIGHTS : MTBLC25646
- BIGG : octa
- LIGAND-CPD:
- HMDB : HMDB00482
- UM-BBD-CPD : c0047
- CHEMSPIDER:
- CHEBI:
- CAS : 124-07-2
- PUBCHEM:
- NCI:
"CCCCCCCC(=O)[O-" cannot be used as a page name in this wiki.
