Difference between revisions of "DIHYDROSIROHYDROCHLORIN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3617 CPD-3617] == * smiles: ** CCCCCCCCCC(=O)[O-] * inchi key: ** InChIKey=GHVNFZFCNZKVNT-U...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIHYDROSIROHYDROCHLORIN DIHYDROSIROHYDROCHLORIN] == * smiles: ** CC5(CC(=O)[O-])(C(C4(=CC1(NC(=...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3617 CPD-3617] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIHYDROSIROHYDROCHLORIN DIHYDROSIROHYDROCHLORIN] ==
 
* smiles:
 
* smiles:
** CCCCCCCCCC(=O)[O-]
+
** CC5(CC(=O)[O-])(C(C4(=CC1(NC(=C(CCC(=O)[O-])C(CC(=O)[O-])=1)CC2(=C(CCC(=O)[O-])C(CC(=O)[O-])=C(N2)C=C3(C(C)(CC(=O)[O-])C(CCC(=O)[O-])C(=N3)C=C([N+]4)5)))))CCC(=O)[O-])
 
* inchi key:
 
* inchi key:
** InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-M
+
** InChIKey=OQIIYZQTTMKFAU-ZNLOQLQNSA-G
 
* common name:
 
* common name:
** decanoate
+
** precorrin-2
 
* molecular weight:
 
* molecular weight:
** 171.259    
+
** 857.803    
 
* Synonym(s):
 
* Synonym(s):
** caprate
+
** dihydrosirohydrochlorin
** decanoic acid
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** n-decanoate
+
** n-capric acid
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** caprinic acid
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** caprinate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13614]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-13403]]
 +
* [[RXN-8675]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-8759]]
 
== External links  ==
 
== External links  ==
* CAS : 334-48-5
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* CAS : 82542-92-5
* BIGG : 37897
+
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4678093 4678093]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245987 25245987]
* HMDB : HMDB00511
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C01571 C01571]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.3866366.html 3866366]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27689 27689]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58827 58827]
* METABOLIGHTS : MTBLC27689
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* BIGG : 39875
{{#set: smiles=CCCCCCCCCC(=O)[O-]}}
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* LIGAND-CPD:
{{#set: inchi key=InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-M}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C02463 C02463]
{{#set: common name=decanoate}}
+
{{#set: smiles=CC5(CC(=O)[O-])(C(C4(=CC1(NC(=C(CCC(=O)[O-])C(CC(=O)[O-])=1)CC2(=C(CCC(=O)[O-])C(CC(=O)[O-])=C(N2)C=C3(C(C)(CC(=O)[O-])C(CCC(=O)[O-])C(=N3)C=C([N+]4)5)))))CCC(=O)[O-])}}
{{#set: molecular weight=171.259   }}
+
{{#set: inchi key=InChIKey=OQIIYZQTTMKFAU-ZNLOQLQNSA-G}}
{{#set: common name=caprate|decanoic acid|n-decanoate|n-capric acid|caprinic acid|caprinate}}
+
{{#set: common name=precorrin-2}}
{{#set: consumed by=RXN-13614}}
+
{{#set: molecular weight=857.803   }}
 +
{{#set: common name=dihydrosirohydrochlorin}}
 +
{{#set: produced by=RXN-13403|RXN-8675}}
 +
{{#set: reversible reaction associated=RXN-8759}}

Latest revision as of 19:46, 21 March 2018

Metabolite DIHYDROSIROHYDROCHLORIN

  • smiles:
    • CC5(CC(=O)[O-])(C(C4(=CC1(NC(=C(CCC(=O)[O-])C(CC(=O)[O-])=1)CC2(=C(CCC(=O)[O-])C(CC(=O)[O-])=C(N2)C=C3(C(C)(CC(=O)[O-])C(CCC(=O)[O-])C(=N3)C=C([N+]4)5)))))CCC(=O)[O-])
  • inchi key:
    • InChIKey=OQIIYZQTTMKFAU-ZNLOQLQNSA-G
  • common name:
    • precorrin-2
  • molecular weight:
    • 857.803
  • Synonym(s):
    • dihydrosirohydrochlorin

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC5(CC(=O)[O-])(C(C4(=CC1(NC(=C(CCC(=O)[O-])C(CC(=O)[O-])=1)CC2(=C(CCC(=O)[O-])C(CC(=O)[O-])=C(N2)C=C3(C(C)(CC(=O)[O-])C(CCC(=O)[O-])C(=N3)C=C([N+]4)5)))))CCC(=O)[O-])" cannot be used as a page name in this wiki.