Difference between revisions of "CPD-11444"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-30 CPDQT-30] == * smiles: ** CSCCCCCCCC(=O)C([O-])=O * inchi key: ** InChIKey=MJGXIOUQXYX...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11444 CPD-11444] == * smiles: ** C(=O)([O-])CCC5(=C4(NC(CC1(NC(=C(CC([O-])=O)C(CCC(=O)[O-])...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-30 CPDQT-30] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11444 CPD-11444] ==
 
* smiles:
 
* smiles:
** CSCCCCCCCC(=O)C([O-])=O
+
** C(=O)([O-])CCC5(=C4(NC(CC1(NC(=C(CC([O-])=O)C(CCC(=O)[O-])=1)CC2(NC(=C(C(CCC(=O)[O-])=2)CC(=O)[O-])CC3(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N3)C4))))=C(CC(=O)[O-])5))
* inchi key:
+
** InChIKey=MJGXIOUQXYXGLP-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
** 9-(methylthio)-2-oxononanoate
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** uroporphyrinogen-I
 +
* inchi key:
 +
** InChIKey=QTTNOSKSLATGQB-UHFFFAOYSA-F
 
* molecular weight:
 
* molecular weight:
** 217.302    
+
** 828.742    
 
* Synonym(s):
 
* Synonym(s):
** 9-(methylthio)-2-oxononanoic acid
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** uroporphyrinogen I
  
 
== 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 ==
* [[RXN-18203]]
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* [[RXN-14396]]
* [[RXNQT-4174]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-10642]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237169 44237169]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201940 25201940]
* KNAPSACK : C00007654
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* CHEMSPIDER:
{{#set: smiles=CSCCCCCCCC(=O)C([O-])=O}}
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** [http://www.chemspider.com/Chemical-Structure.389644.html 389644]
{{#set: inchi key=InChIKey=MJGXIOUQXYXGLP-UHFFFAOYSA-M}}
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* HMDB : HMDB02211
{{#set: common name=9-(methylthio)-2-oxononanoate}}
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* CHEBI:
{{#set: molecular weight=217.302   }}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62626 62626]
{{#set: common name=9-(methylthio)-2-oxononanoic acid}}
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* LIGAND-CPD:
{{#set: produced by=RXN-18203|RXNQT-4174}}
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** [http://www.genome.jp/dbget-bin/www_bget?C05766 C05766]
 +
{{#set: smiles=C(=O)([O-])CCC5(=C4(NC(CC1(NC(=C(CC([O-])=O)C(CCC(=O)[O-])=1)CC2(NC(=C(C(CCC(=O)[O-])=2)CC(=O)[O-])CC3(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N3)C4))))=C(CC(=O)[O-])5))}}
 +
{{#set: common name=uroporphyrinogen-I}}
 +
{{#set: inchi key=InChIKey=QTTNOSKSLATGQB-UHFFFAOYSA-F}}
 +
{{#set: molecular weight=828.742   }}
 +
{{#set: common name=uroporphyrinogen I}}
 +
{{#set: produced by=RXN-14396}}
 +
{{#set: reversible reaction associated=RXN-10642}}

Latest revision as of 20:14, 21 March 2018

Metabolite CPD-11444

  • smiles:
    • C(=O)([O-])CCC5(=C4(NC(CC1(NC(=C(CC([O-])=O)C(CCC(=O)[O-])=1)CC2(NC(=C(C(CCC(=O)[O-])=2)CC(=O)[O-])CC3(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N3)C4))))=C(CC(=O)[O-])5))
  • common name:
    • uroporphyrinogen-I
  • inchi key:
    • InChIKey=QTTNOSKSLATGQB-UHFFFAOYSA-F
  • molecular weight:
    • 828.742
  • Synonym(s):
    • uroporphyrinogen I

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(=O)([O-])CCC5(=C4(NC(CC1(NC(=C(CC([O-])=O)C(CCC(=O)[O-])=1)CC2(NC(=C(C(CCC(=O)[O-])=2)CC(=O)[O-])CC3(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N3)C4))))=C(CC(=O)[O-])5))" cannot be used as a page name in this wiki.