Difference between revisions of "CPD-7616"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17348 CPD-17348] == * smiles: ** CCCCCC=CCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP...")
(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 * common name: ** 3,4-dihydroxybenz...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17348 CPD-17348] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7616 CPD-7616] ==
 
* smiles:
 
* smiles:
−
** CCCCCC=CCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-]
+
** C(C1(C=C(C(=CC=1)O)O))=O
 
* common name:
 
* common name:
−
** (2E, 11Z,14Z)-icosa-2,11,14-trienoyl-CoA
+
** 3,4-dihydroxybenzaldehyde
 
* inchi key:
 
* inchi key:
−
** InChIKey=JLHULLPFTGLIGF-DBYUABGNSA-J
+
** InChIKey=IBGBGRVKPALMCQ-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 1051.975    
+
** 138.123    
 
* Synonym(s):
 
* Synonym(s):
 +
** protocatechualdehyde
 +
** 3,4-dihydroxybenzyl aldehyde
 +
** rancinamycin IV
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-16097]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-16096]]
+
* [[RXN-8872]]
 
== 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=72193765 72193765]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8768 8768]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.8438.html 8438]
 +
* HMDB : HMDB59965
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76409 76409]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=50205 50205]
−
{{#set: smiles=CCCCCC=CCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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: common name=(2E, 11Z,14Z)-icosa-2,11,14-trienoyl-CoA}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C16700 C16700]
−
{{#set: inchi key=InChIKey=JLHULLPFTGLIGF-DBYUABGNSA-J}}
+
{{#set: smiles=C(C1(C=C(C(=CC=1)O)O))=O}}
−
{{#set: molecular weight=1051.975   }}
+
{{#set: common name=3,4-dihydroxybenzaldehyde}}
−
{{#set: consumed by=RXN-16097}}
+
{{#set: inchi key=InChIKey=IBGBGRVKPALMCQ-UHFFFAOYSA-N}}
−
{{#set: produced by=RXN-16096}}
+
{{#set: molecular weight=138.123   }}
 +
{{#set: common name=protocatechualdehyde|3,4-dihydroxybenzyl aldehyde|rancinamycin IV}}
 +
{{#set: produced by=RXN-8872}}

Latest revision as of 19:20, 21 March 2018

Metabolite CPD-7616

  • smiles:
    • C(C1(C=C(C(=CC=1)O)O))=O
  • common name:
    • 3,4-dihydroxybenzaldehyde
  • inchi key:
    • InChIKey=IBGBGRVKPALMCQ-UHFFFAOYSA-N
  • molecular weight:
    • 138.123
  • 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




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-7616&oldid=41015"