Difference between revisions of "RXN-14986"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PRENAL PRENAL] == * smiles: ** CC(=CC=O)C * inchi key: ** InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17624 CPD-17624] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-]...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PRENAL PRENAL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17624 CPD-17624] ==
 
* smiles:
 
* smiles:
** CC(=CC=O)C
+
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
 
* inchi key:
 
* inchi key:
** InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N
+
** InChIKey=IISWKVFHQLAOMW-BTFUZUOASA-I
 
* common name:
 
* common name:
** 3-methyl-2-butenal
+
** ω-carboxy-(9Z)-octadec-9-enoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 84.118    
+
** 1056.928    
 
* Synonym(s):
 
* Synonym(s):
** 3-methylbut-2-enal
+
** 18-carboxyl oleoyl-CoA
** 3,3-dimethyl-acrylaldehyde
+
** prenal
+
** 3-methylcrotonaldehyde
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[1.8.3.5-RXN]]
+
* [[RXN-16418]]
* [[RXN-11989]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=61020 61020]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820430 91820430]
* HMDB : HMDB12157
+
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
* LIGAND-CPD:
+
{{#set: inchi key=InChIKey=IISWKVFHQLAOMW-BTFUZUOASA-I}}
** [http://www.genome.jp/dbget-bin/www_bget?C07330 C07330]
+
{{#set: common name=ω-carboxy-(9Z)-octadec-9-enoyl-CoA}}
* CHEMSPIDER:
+
{{#set: molecular weight=1056.928   }}
** [http://www.chemspider.com/Chemical-Structure.10820046.html 10820046]
+
{{#set: common name=18-carboxyl oleoyl-CoA}}
* CHEBI:
+
{{#set: produced by=RXN-16418}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15825 15825]
+
* METABOLIGHTS : MTBLC15825
+
{{#set: smiles=CC(=CC=O)C}}
+
{{#set: inchi key=InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N}}
+
{{#set: common name=3-methyl-2-butenal}}
+
{{#set: molecular weight=84.118   }}
+
{{#set: common name=3-methylbut-2-enal|3,3-dimethyl-acrylaldehyde|prenal|3-methylcrotonaldehyde}}
+
{{#set: produced by=1.8.3.5-RXN|RXN-11989}}
+

Revision as of 18:25, 10 January 2018

Metabolite CPD-17624

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
  • inchi key:
    • InChIKey=IISWKVFHQLAOMW-BTFUZUOASA-I
  • common name:
    • ω-carboxy-(9Z)-octadec-9-enoyl-CoA
  • molecular weight:
    • 1056.928
  • Synonym(s):
    • 18-carboxyl oleoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-" cannot be used as a page name in this wiki.