Difference between revisions of "CPD-9038"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7033 CPD-7033] == * smiles: ** CCC(CO)C * common name: ** 2-methylbutanol * inchi key: ** I...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9038 CPD-9038] == * smiles: ** CC3(C4(=CC5(=C(C(CCC([O-])=O)=C(CC1(=C(CCC([O-])=O)C(CC(=O)[...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7033 CPD-7033] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9038 CPD-9038] ==
 
* smiles:
 
* smiles:
** CCC(CO)C
+
** CC3(C4(=CC5(=C(C(CCC([O-])=O)=C(CC1(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N1)CC2(NC(=C(CC([O-])=O)C=2CCC([O-])=O)CC(C3CCC(=O)[O-])=N4)))N5)CC([O-])=O)))(CC([O-])=O)
 
* common name:
 
* common name:
** 2-methylbutanol
+
** precorrin-1
 
* inchi key:
 
* inchi key:
** InChIKey=QPRQEDXDYOZYLA-UHFFFAOYSA-N
+
** InChIKey=CJLVUWULFKHGFB-NZCAJUPMSA-F
 
* molecular weight:
 
* molecular weight:
** 88.149    
+
** 842.768    
 
* Synonym(s):
 
* Synonym(s):
** active amyl alcohol
 
** 2-methyl-n-butanol
 
** 2-methylbutyl alcohol
 
** sec-butylcarbinol
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-8675]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-7694]]
+
* [[UROPORIIIMETHYLTRANSA-RXN]]
 
== 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=8723 8723]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245954 25245954]
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.8398.html 8398]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=48945 48945]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58893 58893]
* HMDB : HMDB31527
+
* LIGAND-CPD:
{{#set: smiles=CCC(CO)C}}
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** [http://www.genome.jp/dbget-bin/www_bget?C15527 C15527]
{{#set: common name=2-methylbutanol}}
+
{{#set: smiles=CC3(C4(=CC5(=C(C(CCC([O-])=O)=C(CC1(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N1)CC2(NC(=C(CC([O-])=O)C=2CCC([O-])=O)CC(C3CCC(=O)[O-])=N4)))N5)CC([O-])=O)))(CC([O-])=O)}}
{{#set: inchi key=InChIKey=QPRQEDXDYOZYLA-UHFFFAOYSA-N}}
+
{{#set: common name=precorrin-1}}
{{#set: molecular weight=88.149   }}
+
{{#set: inchi key=InChIKey=CJLVUWULFKHGFB-NZCAJUPMSA-F}}
{{#set: common name=active amyl alcohol|2-methyl-n-butanol|2-methylbutyl alcohol|sec-butylcarbinol}}
+
{{#set: molecular weight=842.768   }}
{{#set: produced by=RXN-7694}}
+
{{#set: consumed by=RXN-8675}}
 +
{{#set: produced by=UROPORIIIMETHYLTRANSA-RXN}}

Latest revision as of 19:14, 21 March 2018

Metabolite CPD-9038

  • smiles:
    • CC3(C4(=CC5(=C(C(CCC([O-])=O)=C(CC1(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N1)CC2(NC(=C(CC([O-])=O)C=2CCC([O-])=O)CC(C3CCC(=O)[O-])=N4)))N5)CC([O-])=O)))(CC([O-])=O)
  • common name:
    • precorrin-1
  • inchi key:
    • InChIKey=CJLVUWULFKHGFB-NZCAJUPMSA-F
  • molecular weight:
    • 842.768
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC3(C4(=CC5(=C(C(CCC([O-])=O)=C(CC1(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N1)CC2(NC(=C(CC([O-])=O)C=2CCC([O-])=O)CC(C3CCC(=O)[O-])=N4)))N5)CC([O-])=O)))(CC([O-])=O)" cannot be used as a page name in this wiki.