Difference between revisions of "CPD-9007"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-I-CIT HOMO-I-CIT] == * smiles: ** C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-] * inchi key: ** I...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9007 CPD-9007] == * smiles: ** C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OP(=O)([O-]...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-I-CIT HOMO-I-CIT] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9007 CPD-9007] ==
 
* smiles:
 
* smiles:
−
** C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-]
+
** C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OP(=O)([O-])OCC4(C(O)C5(OP(=O)([O-])OC(O4)5)))([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=OEJZZCGRGVFWHK-WVZVXSGGSA-K
+
** InChIKey=NPSPRYXPOGPCPM-TYASJMOZSA-K
 
* common name:
 
* common name:
−
** (1R,2S)-homoisocitrate
+
** ADP ribose 1'',2''-cyclic phosphate
 
* molecular weight:
 
* molecular weight:
−
** 203.128    
+
** 618.26    
 
* Synonym(s):
 
* Synonym(s):
−
** (-)-threo-isohomocitrate
+
** ADP ribose 1''-2''-cyclic phosphate
−
** (-)-1-hydroxy-1,2,4-butanetricarboxylate
+
** ADP ribose 1'',2''-phosphate
−
** homo-I-cit
+
** adenosine diphosphate ribose 1'',2''-cyclic phosphate
−
** 1-hydroxy-1,2,4-butanetricarboxylate
+
** Appr>p
−
** 2-hydroxy-3-carboxyadipate
+
−
** homo-iso-citrate
+
−
** 1-(R)-hydroxy-2-(S)-1,2,4-butanetricarboxylic acid
+
−
** 1-hydroxybutane-1,2,4-tricarboxylate
+
−
** (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate
+
−
** homoisocitrate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12055]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[HOMOACONITATE-HYDRATASE-RXN]]
+
* [[2.7.1.160-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-13722]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459812 5459812]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245989 25245989]
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.4573580.html 4573580]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15404 15404]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76596 76596]
−
* LIGAND-CPD:
+
{{#set: smiles=C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OP(=O)([O-])OCC4(C(O)C5(OP(=O)([O-])OC(O4)5)))([O-])=O}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C05662 C05662]
+
{{#set: inchi key=InChIKey=NPSPRYXPOGPCPM-TYASJMOZSA-K}}
−
{{#set: smiles=C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-]}}
+
{{#set: common name=ADP ribose 1'',2''-cyclic phosphate}}
−
{{#set: inchi key=InChIKey=OEJZZCGRGVFWHK-WVZVXSGGSA-K}}
+
{{#set: molecular weight=618.26   }}
−
{{#set: common name=(1R,2S)-homoisocitrate}}
+
{{#set: common name=ADP ribose 1''-2''-cyclic phosphate|ADP ribose 1'',2''-phosphate|adenosine diphosphate ribose 1'',2''-cyclic phosphate|Appr>p}}
−
{{#set: molecular weight=203.128   }}
+
{{#set: consumed by=RXN-12055}}
−
{{#set: common name=(-)-threo-isohomocitrate|(-)-1-hydroxy-1,2,4-butanetricarboxylate|homo-I-cit|1-hydroxy-1,2,4-butanetricarboxylate|2-hydroxy-3-carboxyadipate|homo-iso-citrate|1-(R)-hydroxy-2-(S)-1,2,4-butanetricarboxylic acid|1-hydroxybutane-1,2,4-tricarboxylate|(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate|homoisocitrate}}
+
{{#set: produced by=2.7.1.160-RXN}}
−
{{#set: produced by=HOMOACONITATE-HYDRATASE-RXN}}
+
−
{{#set: reversible reaction associated=RXN-13722}}
+

Latest revision as of 19:54, 21 March 2018

Metabolite CPD-9007

  • smiles:
    • C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OP(=O)([O-])OCC4(C(O)C5(OP(=O)([O-])OC(O4)5)))([O-])=O
  • inchi key:
    • InChIKey=NPSPRYXPOGPCPM-TYASJMOZSA-K
  • common name:
    • ADP ribose 1,2-cyclic phosphate
  • molecular weight:
    • 618.26
  • Synonym(s):
    • ADP ribose 1-2-cyclic phosphate
    • ADP ribose 1,2-phosphate
    • adenosine diphosphate ribose 1,2-cyclic phosphate
    • Appr>p

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OP(=O)([O-])OCC4(C(O)C5(OP(=O)([O-])OC(O4)5)))([O-])=O" cannot be used as a page name in this wiki.


"Appr>p" cannot be used as a page name in this wiki.


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