Difference between revisions of "CPD-10546"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ADENOSINE5TRIPHOSPHO5ADENOSINE ADENOSINE5TRIPHOSPHO5ADENOSINE] == * smiles: ** C(C3(C(C(C(N2(C1...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10546 CPD-10546] == * smiles: ** C1(NC2(C(C=1CC(=O)OC)=CC=CC=2)) * common name: ** methyl (...")
 
(4 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ADENOSINE5TRIPHOSPHO5ADENOSINE ADENOSINE5TRIPHOSPHO5ADENOSINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10546 CPD-10546] ==
 
* smiles:
 
* smiles:
−
** C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC6(C(C(C(N5(C4(=C(C(=NC=N4)N)N=C5)))O6)O)O)
+
** C1(NC2(C(C=1CC(=O)OC)=CC=CC=2))
−
* inchi key:
+
−
** InChIKey=QCICUPZZLIQAPA-XPWFQUROSA-K
+
 
* common name:
 
* common name:
−
** 5',5'''-diadenosine triphosphate
+
** methyl (indol-3-yl)acetate
 +
* inchi key:
 +
** InChIKey=KTHADMDGDNYQRX-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 753.388    
+
** 189.213    
 
* Synonym(s):
 
* Synonym(s):
−
** P1,P3-bis(5'-adenosyl)triphosphate
+
** IAA methyl ester
−
** 5'Ap3A
+
** methyl IAA
−
** adenosine 5'-(tetrahydrogen triphosphate), P''-5'-ester with adenosine
+
** MeIAA
−
** Ap3A
+
** indole-3-acetic acid methyl ester
−
** adenosine(5')triphospho(5')adenosine
+
** methyl 2-(1H-indol-3-yl)acetate
 +
** methyl indole-3-acetate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[BIS5-ADENOSYL-TRIPHOSPHATASE-RXN]]
+
* [[RXN-10711]]
 
== 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  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201180 25201180]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=74706 74706]
−
* CHEBI:
+
* KNAPSACK : C00000101
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58529 58529]
+
* HMDB : HMDB29738
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C06197 C06197]
+
** [http://www.genome.jp/dbget-bin/www_bget?C20635 C20635]
−
* HMDB : HMDB01155
+
* CHEMSPIDER:
−
{{#set: smiles=C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC6(C(C(C(N5(C4(=C(C(=NC=N4)N)N=C5)))O6)O)O)}}
+
** [http://www.chemspider.com/Chemical-Structure.67279.html 67279]
−
{{#set: inchi key=InChIKey=QCICUPZZLIQAPA-XPWFQUROSA-K}}
+
* CHEBI:
−
{{#set: common name=5',5'''-diadenosine triphosphate}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=72782 72782]
−
{{#set: molecular weight=753.388   }}
+
* METABOLIGHTS : MTBLC72782
−
{{#set: common name=P1,P3-bis(5'-adenosyl)triphosphate|5'Ap3A|adenosine 5'-(tetrahydrogen triphosphate), P''-5'-ester with adenosine|Ap3A|adenosine(5')triphospho(5')adenosine}}
+
{{#set: smiles=C1(NC2(C(C=1CC(=O)OC)=CC=CC=2))}}
−
{{#set: consumed by=BIS5-ADENOSYL-TRIPHOSPHATASE-RXN}}
+
{{#set: common name=methyl (indol-3-yl)acetate}}
 +
{{#set: inchi key=InChIKey=KTHADMDGDNYQRX-UHFFFAOYSA-N}}
 +
{{#set: molecular weight=189.213   }}
 +
{{#set: common name=IAA methyl ester|methyl IAA|MeIAA|indole-3-acetic acid methyl ester|methyl 2-(1H-indol-3-yl)acetate|methyl indole-3-acetate}}
 +
{{#set: consumed by=RXN-10711}}

Latest revision as of 19:41, 21 March 2018

Metabolite CPD-10546

  • smiles:
    • C1(NC2(C(C=1CC(=O)OC)=CC=CC=2))
  • common name:
    • methyl (indol-3-yl)acetate
  • inchi key:
    • InChIKey=KTHADMDGDNYQRX-UHFFFAOYSA-N
  • molecular weight:
    • 189.213
  • Synonym(s):
    • IAA methyl ester
    • methyl IAA
    • MeIAA
    • indole-3-acetic acid methyl ester
    • methyl 2-(1H-indol-3-yl)acetate
    • methyl indole-3-acetate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • KNAPSACK : C00000101
  • HMDB : HMDB29738
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC72782




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