Difference between revisions of "BENZALDEHYDE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9925 CPD-9925] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(C=C(O)C1(=CC=CC=C1C(O)=2)))=...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZALDEHYDE BENZALDEHYDE] == * smiles: ** C(=O)C1(=CC=CC=C1) * inchi key: ** InChIKey=HUMNYLRZ...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9925 CPD-9925] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZALDEHYDE BENZALDEHYDE] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(C=C(O)C1(=CC=CC=C1C(O)=2)))=O)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
+
** C(=O)C1(=CC=CC=C1)
 
* inchi key:
 
* inchi key:
−
** InChIKey=PYTINLGPKDJURZ-HSJNEKGZSA-J
+
** InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** 1,4-dihydroxy-2-naphthoyl-CoA
+
** benzaldehyde
 
* molecular weight:
 
* molecular weight:
−
** 949.669    
+
** 106.124    
 
* Synonym(s):
 
* Synonym(s):
−
** 1,4-dihydroxy-2-naphthoate-CoA
+
** benzanoaldehyde
−
** DHNA-CoA
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[BENZALDEHYDE-DEHYDROGENASE-NADP+-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[NAPHTHOATE-SYN-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 100-52-7
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878473 46878473]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=240 240]
−
* CHEBI:
+
* HMDB : HMDB06115
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58897 58897]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C15547 C15547]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00261 C00261]
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(C=C(O)C1(=CC=CC=C1C(O)=2)))=O)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]}}
+
* CHEMSPIDER:
−
{{#set: inchi key=InChIKey=PYTINLGPKDJURZ-HSJNEKGZSA-J}}
+
** [http://www.chemspider.com/Chemical-Structure.235.html 235]
−
{{#set: common name=1,4-dihydroxy-2-naphthoyl-CoA}}
+
* CHEBI:
−
{{#set: molecular weight=949.669   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17169 17169]
−
{{#set: common name=1,4-dihydroxy-2-naphthoate-CoA|DHNA-CoA}}
+
* METABOLIGHTS : MTBLC17169
−
{{#set: produced by=NAPHTHOATE-SYN-RXN}}
+
{{#set: smiles=C(=O)C1(=CC=CC=C1)}}
 +
{{#set: inchi key=InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N}}
 +
{{#set: common name=benzaldehyde}}
 +
{{#set: molecular weight=106.124   }}
 +
{{#set: common name=benzanoaldehyde}}
 +
{{#set: consumed by=BENZALDEHYDE-DEHYDROGENASE-NADP+-RXN}}
 +
{{#set: reversible reaction associated=BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN}}

Latest revision as of 19:39, 21 March 2018

Metabolite BENZALDEHYDE

  • smiles:
    • C(=O)C1(=CC=CC=C1)
  • inchi key:
    • InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N
  • common name:
    • benzaldehyde
  • molecular weight:
    • 106.124
  • Synonym(s):
    • benzanoaldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 100-52-7
  • PUBCHEM:
  • HMDB : HMDB06115
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17169




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