Difference between revisions of "CPD-7616"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=6Z8E10E14Z-5S12R-512-DIHYDROXYI 6Z8E10E14Z-5S12R-512-DIHYDROXYI] == * smiles: ** CCCCCC=CCC(O)C...")
(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...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=6Z8E10E14Z-5S12R-512-DIHYDROXYI 6Z8E10E14Z-5S12R-512-DIHYDROXYI] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7616 CPD-7616] ==
 
* smiles:
 
* smiles:
−
** CCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)[O-]
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** C(C1(C=C(C(=CC=1)O)O))=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=VNYSSYRCGWBHLG-AMOLWHMGSA-M
+
** InChIKey=IBGBGRVKPALMCQ-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** leukotriene B4
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** 3,4-dihydroxybenzaldehyde
 
* molecular weight:
 
* molecular weight:
−
** 335.462    
+
** 138.123    
 
* Synonym(s):
 
* Synonym(s):
−
** (6z,8e,10e,14z)-(5s,12r)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate
+
** protocatechualdehyde
 +
** 3,4-dihydroxybenzyl aldehyde
 +
** rancinamycin IV
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[LEUKOTRIENE-A4-HYDROLASE-RXN]]
+
* [[RXN-8872]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 71160-24-2
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=23615214 23615214]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8768 8768]
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* HMDB : HMDB01085
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* CHEMSPIDER:
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* LIGAND-CPD:
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** [http://www.chemspider.com/Chemical-Structure.8438.html 8438]
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** [http://www.genome.jp/dbget-bin/www_bget?C02165 C02165]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57461 57461]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=50205 50205]
−
* METABOLIGHTS : MTBLC57461
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* LIGAND-CPD:
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{{#set: smiles=CCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)[O-]}}
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** [http://www.genome.jp/dbget-bin/www_bget?C16700 C16700]
−
{{#set: inchi key=InChIKey=VNYSSYRCGWBHLG-AMOLWHMGSA-M}}
+
* HMDB : HMDB59965
−
{{#set: common name=leukotriene B4}}
+
{{#set: smiles=C(C1(C=C(C(=CC=1)O)O))=O}}
−
{{#set: molecular weight=335.462   }}
+
{{#set: inchi key=InChIKey=IBGBGRVKPALMCQ-UHFFFAOYSA-N}}
−
{{#set: common name=(6z,8e,10e,14z)-(5s,12r)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate}}
+
{{#set: common name=3,4-dihydroxybenzaldehyde}}
−
{{#set: produced by=LEUKOTRIENE-A4-HYDROLASE-RXN}}
+
{{#set: molecular weight=138.123   }}
 +
{{#set: common name=protocatechualdehyde|3,4-dihydroxybenzyl aldehyde|rancinamycin IV}}
 +
{{#set: produced by=RXN-8872}}

Revision as of 15:10, 23 May 2018

Metabolite CPD-7616

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




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