Difference between revisions of "CPD-2961"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14420 CPD-14420] == * smiles: ** CCC=CCC=CCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-2961 CPD-2961] == * smiles: ** C(C(C(C(C(C([O-])=O)O)O)O)O)OP([O-])([O-])=O * common name:...")
 
(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=CPD-14420 CPD-14420] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-2961 CPD-2961] ==
 
* smiles:
 
* smiles:
** CCC=CCC=CCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
+
** C(C(C(C(C(C([O-])=O)O)O)O)O)OP([O-])([O-])=O
* inchi key:
+
** InChIKey=YJKOIKYLHSMLHC-ATRRWJJYSA-J
+
 
* common name:
 
* common name:
** icosatrienoyl-2-enoyl CoA
+
** D-gluconate 6-phosphate
 +
* inchi key:
 +
** InChIKey=BIRSGZKFKXLSJQ-SQOUGZDYSA-K
 
* molecular weight:
 
* molecular weight:
** 1049.959    
+
** 273.113    
 
* Synonym(s):
 
* Synonym(s):
** 18:3Δ9,12,15
+
** 6-p gluconate
** (9Z,12Z,15Z)-octadecatrienoyl-CoA
+
** 6-phospho gluconate
** eicosatrienoyl-2-enoyl CoA
+
** 6-phosphogluconic acid
 +
** 6-phospho D-gluconate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-12997]]
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* [[RXN-9952]]
 +
* [[6PGLUCONDEHYDROG-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-13001]]
+
* [[6PGLUCONOLACT-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* BIGG : 6pgc
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72551551 72551551]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=36688186 36688186]
 +
* HMDB : HMDB01316
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00345 C00345]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76456 76456]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58759 58759]
{{#set: smiles=CCC=CCC=CCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
+
* METABOLIGHTS : MTBLC58759
{{#set: inchi key=InChIKey=YJKOIKYLHSMLHC-ATRRWJJYSA-J}}
+
{{#set: smiles=C(C(C(C(C(C([O-])=O)O)O)O)O)OP([O-])([O-])=O}}
{{#set: common name=icosatrienoyl-2-enoyl CoA}}
+
{{#set: common name=D-gluconate 6-phosphate}}
{{#set: molecular weight=1049.959   }}
+
{{#set: inchi key=InChIKey=BIRSGZKFKXLSJQ-SQOUGZDYSA-K}}
{{#set: common name=18:3Δ9,12,15|(9Z,12Z,15Z)-octadecatrienoyl-CoA|eicosatrienoyl-2-enoyl CoA}}
+
{{#set: molecular weight=273.113   }}
{{#set: consumed by=RXN-12997}}
+
{{#set: common name=6-p gluconate|6-phospho gluconate|6-phosphogluconic acid|6-phospho D-gluconate}}
{{#set: produced by=RXN-13001}}
+
{{#set: consumed by=RXN-9952|6PGLUCONDEHYDROG-RXN}}
 +
{{#set: produced by=6PGLUCONOLACT-RXN}}

Latest revision as of 19:47, 21 March 2018

Metabolite CPD-2961

  • smiles:
    • C(C(C(C(C(C([O-])=O)O)O)O)O)OP([O-])([O-])=O
  • common name:
    • D-gluconate 6-phosphate
  • inchi key:
    • InChIKey=BIRSGZKFKXLSJQ-SQOUGZDYSA-K
  • molecular weight:
    • 273.113
  • Synonym(s):
    • 6-p gluconate
    • 6-phospho gluconate
    • 6-phosphogluconic acid
    • 6-phospho D-gluconate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • BIGG : 6pgc
  • PUBCHEM:
  • HMDB : HMDB01316
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC58759
"C(C(C(C(C(C([O-])=O)O)O)O)O)OP([O-])([O-])=O" cannot be used as a page name in this wiki.