Difference between revisions of "CPD0-2171"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SALICYLALDEHYDE SALICYLALDEHYDE] == * smiles: ** C1(C=CC(O)=C(C=O)C=1) * inchi key: ** InChIKey...")
 
(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...")
 
(3 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SALICYLALDEHYDE SALICYLALDEHYDE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2171 CPD0-2171] ==
 
* smiles:
 
* smiles:
** C1(C=CC(O)=C(C=O)C=1)
+
** 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
* inchi key:
+
** InChIKey=SMQUZDBALVYZAC-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
** salicylaldehyde
+
** (S)-3-hydroxytetradecanoyl-CoA
 +
* inchi key:
 +
** InChIKey=OXBHKMHNDGRDCZ-STLSENOWSA-J
 
* molecular weight:
 
* molecular weight:
** 122.123    
+
** 989.861    
 
* Synonym(s):
 
* Synonym(s):
** 2-hydroxybenzaldehyde
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[1.2.1.65-RXN]]
+
* [[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 ==
 
== External links  ==
 
== External links  ==
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6998 6998]
 
* HMDB : HMDB34170
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C06202 C06202]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05260 C05260]
* CHEMSPIDER:
+
* HMDB : HMDB03934
** [http://www.chemspider.com/Chemical-Structure.14368599.html 14368599]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16008 16008]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62614 62614]
* METABOLIGHTS : MTBLC16008
+
* BIGG : 3htdcoa
{{#set: smiles=C1(C=CC(O)=C(C=O)C=1)}}
+
* PUBCHEM:
{{#set: inchi key=InChIKey=SMQUZDBALVYZAC-UHFFFAOYSA-N}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173488 46173488]
{{#set: common name=salicylaldehyde}}
+
{{#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: molecular weight=122.123   }}
+
{{#set: common name=(S)-3-hydroxytetradecanoyl-CoA}}
{{#set: common name=2-hydroxybenzaldehyde}}
+
{{#set: inchi key=InChIKey=OXBHKMHNDGRDCZ-STLSENOWSA-J}}
{{#set: consumed by=1.2.1.65-RXN}}
+
{{#set: molecular weight=989.861   }}
 +
{{#set: consumed by=RXN-12507}}

Latest revision as of 20:01, 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.