Difference between revisions of "LIPOIC-ACID"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SIROHYDROCHLORIN SIROHYDROCHLORIN] == * smiles: ** CC2(CC(=O)[O-])(C1(=CC5(=NC(=CC4(NC(C=C3(N=C...")
 
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SIROHYDROCHLORIN SIROHYDROCHLORIN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LIPOIC-ACID LIPOIC-ACID] ==
 
* smiles:
 
* smiles:
** CC2(CC(=O)[O-])(C1(=CC5(=NC(=CC4(NC(C=C3(N=C(C=C(N1)C(CCC(=O)[O-])2)C(CC(=O)[O-])=C(CCC(=O)[O-])3))=C(CCC(=O)[O-])C(CC(=O)[O-])=4))C(C)(CC(=O)[O-])C(CCC(=O)[O-])5)))
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** C(CCC(=O)[O-])CC1(CCSS1)
 +
* molecular weight:
 +
** 205.309   
 
* inchi key:
 
* inchi key:
** InChIKey=KWIZRXMMFRBUML-AHGFGAHVSA-F
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** InChIKey=AGBQKNBQESQNJD-SSDOTTSWSA-M
 
* common name:
 
* common name:
** sirohydrochlorin
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** (R)-lipoate
* molecular weight:
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** 854.779   
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* Synonym(s):
 
* Synonym(s):
** Precorrin
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** α-liponic acid
 +
** 5-(1,2-dithiolan-3-yl)-pentanoate
 +
** lipoic acid
 +
** 6,8-thioctic acid
 +
** 6,8-thioctate
 +
** DL-thioctic acid
 +
** DL-thioctate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[4.99.1.3-RXN]]
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* [[RXN-17127]]
 +
* [[RXN0-1141]]
 +
* [[RXN-8654]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 65207-12-7
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* METABOLIGHTS : MTBLC30313
* PUBCHEM:
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* CAS : 62-46-4
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245154 25245154]
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* HMDB : HMDB01451
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.841.html 841]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58351 58351]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=83088 83088]
* BIGG : scl
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* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C05778 C05778]
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** [http://www.genome.jp/dbget-bin/www_bget?C16241 C16241]
{{#set: smiles=CC2(CC(=O)[O-])(C1(=CC5(=NC(=CC4(NC(C=C3(N=C(C=C(N1)C(CCC(=O)[O-])2)C(CC(=O)[O-])=C(CCC(=O)[O-])3))=C(CCC(=O)[O-])C(CC(=O)[O-])=4))C(C)(CC(=O)[O-])C(CCC(=O)[O-])5)))}}
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* PUBCHEM:
{{#set: inchi key=InChIKey=KWIZRXMMFRBUML-AHGFGAHVSA-F}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1549144 1549144]
{{#set: common name=sirohydrochlorin}}
+
{{#set: smiles=C(CCC(=O)[O-])CC1(CCSS1)}}
{{#set: molecular weight=854.779    }}
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{{#set: molecular weight=205.309    }}
{{#set: common name=Precorrin}}
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{{#set: inchi key=InChIKey=AGBQKNBQESQNJD-SSDOTTSWSA-M}}
{{#set: consumed by=4.99.1.3-RXN}}
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{{#set: common name=(R)-lipoate}}
 +
{{#set: common name=α-liponic acid|5-(1,2-dithiolan-3-yl)-pentanoate|lipoic acid|6,8-thioctic acid|6,8-thioctate|DL-thioctic acid|DL-thioctate}}
 +
{{#set: consumed by=RXN-17127|RXN0-1141|RXN-8654}}

Latest revision as of 18:32, 9 January 2019

Metabolite LIPOIC-ACID

  • smiles:
    • C(CCC(=O)[O-])CC1(CCSS1)
  • molecular weight:
    • 205.309
  • inchi key:
    • InChIKey=AGBQKNBQESQNJD-SSDOTTSWSA-M
  • common name:
    • (R)-lipoate
  • Synonym(s):
    • α-liponic acid
    • 5-(1,2-dithiolan-3-yl)-pentanoate
    • lipoic acid
    • 6,8-thioctic acid
    • 6,8-thioctate
    • DL-thioctic acid
    • DL-thioctate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • METABOLIGHTS : MTBLC30313
  • CAS : 62-46-4
  • HMDB : HMDB01451
  • CHEMSPIDER:
  • CHEBI:
  • LIGAND-CPD:
  • PUBCHEM:
"C(CCC(=O)[O-])CC1(CCSS1)" cannot be used as a page name in this wiki.