Difference between revisions of "CPD-3617"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3617 CPD-3617] == * smiles: ** CCCCCCCCCC(=O)[O-] * inchi key: ** InChIKey=GHVNFZFCNZKVNT-U...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCCCCCCCCC(=O)[O-] | ** CCCCCCCCCC(=O)[O-] | ||
| + | * molecular weight: | ||
| + | ** 171.259 | ||
* inchi key: | * inchi key: | ||
** InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-M | ** InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-M | ||
* common name: | * common name: | ||
** decanoate | ** decanoate | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** caprate | ** caprate | ||
| Line 23: | Line 23: | ||
* [[RXN-16653]] | * [[RXN-16653]] | ||
== External links == | == External links == | ||
| − | |||
* METABOLIGHTS : MTBLC27689 | * METABOLIGHTS : MTBLC27689 | ||
| − | * | + | * BIGG : dca |
| − | * | + | * CAS : 334-48-5 |
* HMDB : HMDB00511 | * HMDB : HMDB00511 | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.3866366.html 3866366] | ** [http://www.chemspider.com/Chemical-Structure.3866366.html 3866366] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27689 27689] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27689 27689] | ||
| − | * | + | * LIGAND-CPD: |
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C01571 C01571] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4678093 4678093] | ||
{{#set: smiles=CCCCCCCCCC(=O)[O-]}} | {{#set: smiles=CCCCCCCCCC(=O)[O-]}} | ||
| + | {{#set: molecular weight=171.259 }} | ||
{{#set: inchi key=InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-M}} | {{#set: inchi key=InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-M}} | ||
{{#set: common name=decanoate}} | {{#set: common name=decanoate}} | ||
| − | |||
{{#set: common name=caprate|decanoic acid|n-decanoate|n-capric acid|caprinic acid|caprinate}} | {{#set: common name=caprate|decanoic acid|n-decanoate|n-capric acid|caprinic acid|caprinate}} | ||
{{#set: consumed by=RXN-13614}} | {{#set: consumed by=RXN-13614}} | ||
{{#set: reversible reaction associated=RXN-16653}} | {{#set: reversible reaction associated=RXN-16653}} | ||
Latest revision as of 18:38, 9 January 2019
Contents
Metabolite CPD-3617
- smiles:
- CCCCCCCCCC(=O)[O-]
- molecular weight:
- 171.259
- inchi key:
- InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-M
- common name:
- decanoate
- Synonym(s):
- caprate
- decanoic acid
- n-decanoate
- n-capric acid
- caprinic acid
- caprinate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- METABOLIGHTS : MTBLC27689
- BIGG : dca
- CAS : 334-48-5
- HMDB : HMDB00511
- CHEMSPIDER:
- CHEBI:
- LIGAND-CPD:
- PUBCHEM:
"CCCCCCCCCC(=O)[O-" cannot be used as a page name in this wiki.
