Difference between revisions of "PWY-6269"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2107 CPD0-2107] == * smiles: ** CCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ASCORBATE ASCORBATE] == * smiles: ** C(O)C(O)[CH]1(C([O-])=C(O)C(=O)O1) * inchi key: ** InChIKe...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2107 CPD0-2107] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ASCORBATE ASCORBATE] ==
 
* smiles:
 
* smiles:
** CCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
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** C(O)C(O)[CH]1(C([O-])=C(O)C(=O)O1)
 
* inchi key:
 
* inchi key:
** InChIKey=IJFLXRCJWPKGKJ-LXIXEQKWSA-J
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** InChIKey=CIWBSHSKHKDKBQ-JLAZNSOCSA-M
 
* common name:
 
* common name:
** (S)-3-hydroxydodecanoyl-CoA
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** L-ascorbate
 
* molecular weight:
 
* molecular weight:
** 961.807    
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** 175.118    
 
* Synonym(s):
 
* Synonym(s):
 +
** L-ascorbic acid
 +
** ascorbate
 +
** vitamin C
 +
** ascorbic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12440]]
 +
* [[RXN-3521]]
 +
* [[RXN-10981]]
 +
* [[RXN-7984]]
 +
* [[RXN-7985]]
 +
* [[PEPTIDYLGLYCINE-MONOOXYGENASE-RXN]]
 +
* [[RXN-12876]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-3523]]
 +
* [[1.6.5.4-RXN]]
 +
* [[RXN-12440]]
 +
* [[GALACTONOLACTONE-DEHYDROGENASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[HACD5m]]
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* [[RXN-13185]]
* [[HACD5]]
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== External links  ==
 
== External links  ==
 +
* CAS : 50-81-7
 +
* METABOLIGHTS : MTBLC38290
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54679076 54679076]
 +
* KNAPSACK : C00001179
 +
* HMDB : HMDB00044
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C05262 C05262]
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** [http://www.genome.jp/dbget-bin/www_bget?C00072 C00072]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.102746.html 102746]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62558 62558]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=38290 38290]
* BIGG : 3hddcoa
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* BIGG : ascb__L
* PUBCHEM:
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{{#set: smiles=C(O)C(O)[CH]1(C([O-])=C(O)C(=O)O1)}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173081 46173081]
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{{#set: inchi key=InChIKey=CIWBSHSKHKDKBQ-JLAZNSOCSA-M}}
* HMDB : HMDB03936
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{{#set: common name=L-ascorbate}}
{{#set: smiles=CCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}}
+
{{#set: molecular weight=175.118   }}
{{#set: inchi key=InChIKey=IJFLXRCJWPKGKJ-LXIXEQKWSA-J}}
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{{#set: common name=L-ascorbic acid|ascorbate|vitamin C|ascorbic acid}}
{{#set: common name=(S)-3-hydroxydodecanoyl-CoA}}
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{{#set: consumed by=RXN-12440|RXN-3521|RXN-10981|RXN-7984|RXN-7985|PEPTIDYLGLYCINE-MONOOXYGENASE-RXN|RXN-12876}}
{{#set: molecular weight=961.807   }}
+
{{#set: produced by=RXN-3523|1.6.5.4-RXN|RXN-12440|GALACTONOLACTONE-DEHYDROGENASE-RXN}}
{{#set: consumed or produced by=HACD5m|HACD5}}
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{{#set: reversible reaction associated=RXN-13185}}

Revision as of 18:16, 18 March 2018

Metabolite ASCORBATE

  • smiles:
    • C(O)C(O)[CH]1(C([O-])=C(O)C(=O)O1)
  • inchi key:
    • InChIKey=CIWBSHSKHKDKBQ-JLAZNSOCSA-M
  • common name:
    • L-ascorbate
  • molecular weight:
    • 175.118
  • Synonym(s):
    • L-ascorbic acid
    • ascorbate
    • vitamin C
    • ascorbic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 50-81-7
  • METABOLIGHTS : MTBLC38290
  • PUBCHEM:
  • KNAPSACK : C00001179
  • HMDB : HMDB00044
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : ascb__L
"C(O)C(O)[CH]1(C([O-])=C(O)C(=O)O1)" cannot be used as a page name in this wiki.