Difference between revisions of "OCTADEC-9-ENE-118-DIOIC-ACID"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6082 CPD-6082] == * smiles: ** C(CC[N+])=O * common name: ** 3-aminopropanal * inchi key: *...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OCTADEC-9-ENE-118-DIOIC-ACID OCTADEC-9-ENE-118-DIOIC-ACID] == * smiles: ** C(=O)([O-])CCCCCCCC=...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6082 CPD-6082] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OCTADEC-9-ENE-118-DIOIC-ACID OCTADEC-9-ENE-118-DIOIC-ACID] ==
 
* smiles:
 
* smiles:
−
** C(CC[N+])=O
+
** C(=O)([O-])CCCCCCCC=CCCCCCCCC(=O)[O-]
 
* common name:
 
* common name:
−
** 3-aminopropanal
+
** α,ω-9Z-octadecenedioate
 
* inchi key:
 
* inchi key:
−
** InChIKey=PCXDJQZLDDHMGX-UHFFFAOYSA-O
+
** InChIKey=SBLKVIQSIHEQOF-UPHRSURJSA-L
 
* molecular weight:
 
* molecular weight:
−
** 74.102    
+
** 310.433    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-amino-propanal
+
** α,ω-9Z-octadecenedioic acid
−
** 3-APA
+
** 1,18-9Z-octadecenedioic acid
−
** 3-aminopropionaldehyde
+
** octadecenedioate
−
** APAL
+
** 18-carboxyl oleate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-6382]]
+
* [[RXN-16418]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-6381]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-12332]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21286229 21286229]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657642 90657642]
−
* CHEMSPIDER:
+
{{#set: smiles=C(=O)([O-])CCCCCCCC=CCCCCCCCC(=O)[O-]}}
−
** [http://www.chemspider.com/Chemical-Structure.14733277.html 14733277]
+
{{#set: common name=α,ω-9Z-octadecenedioate}}
−
* HMDB : HMDB01106
+
{{#set: inchi key=InChIKey=SBLKVIQSIHEQOF-UPHRSURJSA-L}}
−
* CHEBI:
+
{{#set: molecular weight=310.433   }}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58374 58374]
+
{{#set: common name=α,ω-9Z-octadecenedioic acid|1,18-9Z-octadecenedioic acid|octadecenedioate|18-carboxyl oleate}}
−
* LIGAND-CPD:
+
{{#set: consumed by=RXN-16418}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C02229 C02229]
+
−
{{#set: smiles=C(CC[N+])=O}}
+
−
{{#set: common name=3-aminopropanal}}
+
−
{{#set: inchi key=InChIKey=PCXDJQZLDDHMGX-UHFFFAOYSA-O}}
+
−
{{#set: molecular weight=74.102   }}
+
−
{{#set: common name=3-amino-propanal|3-APA|3-aminopropionaldehyde|APAL}}
+
−
{{#set: consumed by=RXN-6382}}
+
−
{{#set: produced by=RXN-6381}}
+
−
{{#set: reversible reaction associated=RXN-12332}}
+

Latest revision as of 20:50, 21 March 2018

Metabolite OCTADEC-9-ENE-118-DIOIC-ACID

  • smiles:
    • C(=O)([O-])CCCCCCCC=CCCCCCCCC(=O)[O-]
  • common name:
    • α,ω-9Z-octadecenedioate
  • inchi key:
    • InChIKey=SBLKVIQSIHEQOF-UPHRSURJSA-L
  • molecular weight:
    • 310.433
  • Synonym(s):
    • α,ω-9Z-octadecenedioic acid
    • 1,18-9Z-octadecenedioic acid
    • octadecenedioate
    • 18-carboxyl oleate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(=O)([O-])CCCCCCCC=CCCCCCCCC(=O)[O-" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=OCTADEC-9-ENE-118-DIOIC-ACID&oldid=44045"