Difference between revisions of "CPD-12904"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PTEROATE PTEROATE] == * smiles: ** C(NC1(C=CC(C(=O)[O-])=CC=1))C2(C=NC3(N=C(N)NC(=O)C(N=2)=3))...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12904 CPD-12904] == * smiles: ** CC(C)=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PTEROATE PTEROATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12904 CPD-12904] ==
 
* smiles:
 
* smiles:
** C(NC1(C=CC(C(=O)[O-])=CC=1))C2(C=NC3(N=C(N)NC(=O)C(N=2)=3))
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** CC(C)=CC=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-]
 
* common name:
 
* common name:
** pteroate
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** (2E)-5-methylhexa-2,4-dienoyl-CoA
 
* inchi key:
 
* inchi key:
** InChIKey=JOAQINSXLLMRCV-UHFFFAOYSA-M
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** InChIKey=IFMYVRQEHQTINS-MEOYLLPMSA-J
 
* molecular weight:
 
* molecular weight:
** 311.279    
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** 871.642    
 
* Synonym(s):
 
* Synonym(s):
** 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-11919]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[3.4.17.11-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 119-24-4
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6951470 6951470]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=50986176 50986176]
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.5324366.html 5324366]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=38793 38793]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C07582 C07582]
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** [http://www.genome.jp/dbget-bin/www_bget?C16468 C16468]
{{#set: smiles=C(NC1(C=CC(C(=O)[O-])=CC=1))C2(C=NC3(N=C(N)NC(=O)C(N=2)=3))}}
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{{#set: smiles=CC(C)=CC=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-]}}
{{#set: common name=pteroate}}
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{{#set: common name=(2E)-5-methylhexa-2,4-dienoyl-CoA}}
{{#set: inchi key=InChIKey=JOAQINSXLLMRCV-UHFFFAOYSA-M}}
+
{{#set: inchi key=InChIKey=IFMYVRQEHQTINS-MEOYLLPMSA-J}}
{{#set: molecular weight=311.279   }}
+
{{#set: molecular weight=871.642   }}
{{#set: common name=4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate}}
+
{{#set: consumed by=RXN-11919}}
{{#set: produced by=3.4.17.11-RXN}}
+

Latest revision as of 19:34, 21 March 2018

Metabolite CPD-12904

  • smiles:
    • CC(C)=CC=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-]
  • common name:
    • (2E)-5-methylhexa-2,4-dienoyl-CoA
  • inchi key:
    • InChIKey=IFMYVRQEHQTINS-MEOYLLPMSA-J
  • molecular weight:
    • 871.642
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)=CC=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-" cannot be used as a page name in this wiki.