Difference between revisions of "Nitriles"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=Secondary-Alcohols Secondary-Alcohols] == * common name: ** a secondary alcohol * Synonym(s):...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2171 CPD0-2171] == * smiles: ** CCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=Secondary-Alcohols Secondary-Alcohols] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2171 CPD0-2171] ==
 +
* smiles:
 +
** CCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
 
* common name:
 
* common name:
** a secondary alcohol
+
** (S)-3-hydroxytetradecanoyl-CoA
 +
* inchi key:
 +
** InChIKey=OXBHKMHNDGRDCZ-STLSENOWSA-J
 +
* molecular weight:
 +
** 989.861   
 
* Synonym(s):
 
* Synonym(s):
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12507]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-12448]]
 
* [[CARBONYL-REDUCTASE-NADPH-RXN]]
 
 
== External links  ==
 
== External links  ==
{{#set: common name=a secondary alcohol}}
+
* LIGAND-CPD:
{{#set: reversible reaction associated=RXN-12448|CARBONYL-REDUCTASE-NADPH-RXN}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05260 C05260]
 +
* HMDB : HMDB03934
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62614 62614]
 +
* BIGG : 3htdcoa
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173488 46173488]
 +
{{#set: smiles=CCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}}
 +
{{#set: common name=(S)-3-hydroxytetradecanoyl-CoA}}
 +
{{#set: inchi key=InChIKey=OXBHKMHNDGRDCZ-STLSENOWSA-J}}
 +
{{#set: molecular weight=989.861    }}
 +
{{#set: consumed by=RXN-12507}}

Revision as of 15:43, 21 March 2018

Metabolite CPD0-2171

  • smiles:
    • CCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
  • common name:
    • (S)-3-hydroxytetradecanoyl-CoA
  • inchi key:
    • InChIKey=OXBHKMHNDGRDCZ-STLSENOWSA-J
  • molecular weight:
    • 989.861
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O" cannot be used as a page name in this wiki.