Difference between revisions of "DODECANOATE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DODECANOATE DODECANOATE] == * smiles: ** CCCCCCCCCCCC([O-])=O * common name: ** laurate * inchi...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCCCCCCCCCCC([O-])=O | ** CCCCCCCCCCCC([O-])=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 199.312 | ** 199.312 | ||
| + | * inchi key: | ||
| + | ** InChIKey=POULHZVOKOAJMA-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** laurate | ||
* Synonym(s): | * Synonym(s): | ||
** n-dodecanoic acid | ** n-dodecanoic acid | ||
| Line 19: | Line 19: | ||
* [[RXN-16393]] | * [[RXN-16393]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
* [[3.1.2.21-RXN]] | * [[3.1.2.21-RXN]] | ||
| − | |||
* [[RXN-16654]] | * [[RXN-16654]] | ||
| + | * [[RXN-9627]] | ||
| + | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
* NCI: | * NCI: | ||
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=5026 5026] | ** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=5026 5026] | ||
| − | |||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.3361474.html 3361474] | ** [http://www.chemspider.com/Chemical-Structure.3361474.html 3361474] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4149208 4149208] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18262 18262] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18262 18262] | ||
| + | * GO-TERMS : (REFMET "Lauric acid" NIL midford 3701443689 NIL NIL) | ||
| + | * CAS : 143-07-7 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C02679 C02679] | ||
| + | * HMDB : HMDB00638 | ||
* METABOLIGHTS : MTBLC18262 | * METABOLIGHTS : MTBLC18262 | ||
{{#set: smiles=CCCCCCCCCCCC([O-])=O}} | {{#set: smiles=CCCCCCCCCCCC([O-])=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=199.312 }} | {{#set: molecular weight=199.312 }} | ||
| + | {{#set: inchi key=InChIKey=POULHZVOKOAJMA-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=laurate}} | ||
{{#set: common name=n-dodecanoic acid|dodecanoic acid|lauric acid|tin II 2-ethylhexanoate|dodecanoate}} | {{#set: common name=n-dodecanoic acid|dodecanoic acid|lauric acid|tin II 2-ethylhexanoate|dodecanoate}} | ||
{{#set: consumed by=RXN-16393}} | {{#set: consumed by=RXN-16393}} | ||
| − | {{#set: produced by= | + | {{#set: produced by=3.1.2.21-RXN|RXN-16654|RXN-9627}} |
| − | + | ||
Latest revision as of 14:16, 10 January 2019
Contents
Metabolite DODECANOATE
- smiles:
- CCCCCCCCCCCC([O-])=O
- molecular weight:
- 199.312
- inchi key:
- InChIKey=POULHZVOKOAJMA-UHFFFAOYSA-M
- common name:
- laurate
- Synonym(s):
- n-dodecanoic acid
- dodecanoic acid
- lauric acid
- tin II 2-ethylhexanoate
- dodecanoate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- NCI:
- CHEMSPIDER:
- PUBCHEM:
- CHEBI:
- GO-TERMS : (REFMET "Lauric acid" NIL midford 3701443689 NIL NIL)
- CAS : 143-07-7
- LIGAND-CPD:
- HMDB : HMDB00638
- METABOLIGHTS : MTBLC18262
"CCCCCCCCCCCC([O-])=O" cannot be used as a page name in this wiki.
