Difference between revisions of "CPD-7616"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7616 CPD-7616] == * smiles: ** C(C1(C=C(C(=CC=1)O)O))=O * inchi key: ** InChIKey=IBGBGRVKPA...")
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** C(C1(C=C(C(=CC=1)O)O))=O
 
** C(C1(C=C(C(=CC=1)O)O))=O
 +
* molecular weight:
 +
** 138.123   
 
* inchi key:
 
* inchi key:
 
** InChIKey=IBGBGRVKPALMCQ-UHFFFAOYSA-N
 
** InChIKey=IBGBGRVKPALMCQ-UHFFFAOYSA-N
 
* common name:
 
* common name:
 
** 3,4-dihydroxybenzaldehyde
 
** 3,4-dihydroxybenzaldehyde
* molecular weight:
 
** 138.123   
 
 
* Synonym(s):
 
* Synonym(s):
 
** protocatechualdehyde
 
** protocatechualdehyde
Line 19: Line 19:
 
== 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=8768 8768]
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.8438.html 8438]
 
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=50205 50205]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=50205 50205]
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8768 8768]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C16700 C16700]
 
** [http://www.genome.jp/dbget-bin/www_bget?C16700 C16700]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.8438.html 8438]
 
* HMDB : HMDB59965
 
* HMDB : HMDB59965
 
{{#set: smiles=C(C1(C=C(C(=CC=1)O)O))=O}}
 
{{#set: smiles=C(C1(C=C(C(=CC=1)O)O))=O}}
 +
{{#set: molecular weight=138.123    }}
 
{{#set: inchi key=InChIKey=IBGBGRVKPALMCQ-UHFFFAOYSA-N}}
 
{{#set: inchi key=InChIKey=IBGBGRVKPALMCQ-UHFFFAOYSA-N}}
 
{{#set: common name=3,4-dihydroxybenzaldehyde}}
 
{{#set: common name=3,4-dihydroxybenzaldehyde}}
{{#set: molecular weight=138.123    }}
 
 
{{#set: common name=protocatechualdehyde|3,4-dihydroxybenzyl aldehyde|rancinamycin IV}}
 
{{#set: common name=protocatechualdehyde|3,4-dihydroxybenzyl aldehyde|rancinamycin IV}}
 
{{#set: produced by=RXN-8872}}
 
{{#set: produced by=RXN-8872}}

Latest revision as of 15:35, 9 January 2019

Metabolite CPD-7616

  • smiles:
    • C(C1(C=C(C(=CC=1)O)O))=O
  • molecular weight:
    • 138.123
  • inchi key:
    • InChIKey=IBGBGRVKPALMCQ-UHFFFAOYSA-N
  • common name:
    • 3,4-dihydroxybenzaldehyde
  • Synonym(s):
    • protocatechualdehyde
    • 3,4-dihydroxybenzyl aldehyde
    • rancinamycin IV

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links