Difference between revisions of "CPD-13346"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11519 CPD-11519] == * smiles: ** CCC=CCC4(C(=O)CCC(CCCCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13346 CPD-13346] == * smiles: ** CCCCOC(=O)C * common name: ** butyl acetate * inchi key: *...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11519 CPD-11519] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13346 CPD-13346] ==
 
* smiles:
 
* smiles:
−
** CCC=CCC4(C(=O)CCC(CCCCCC(O)CC(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-])=O)4)
+
** CCCCOC(=O)C
 
* common name:
 
* common name:
−
** OPC8-3-hydroxyacyl-CoA
+
** butyl acetate
 
* inchi key:
 
* inchi key:
−
** InChIKey=PDDHCVXPABQISO-PEUIIYGWSA-J
+
** InChIKey=DKPFZGUDAPQIHT-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 1055.92    
+
** 116.16    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octa-3-hydroxy-2-enoyl-CoA
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-10698]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-10697]]
+
* [[RXN-12362]]
 
== 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=44237307 44237307]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=31272 31272]
−
{{#set: smiles=CCC=CCC4(C(=O)CCC(CCCCCC(O)CC(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-])=O)4)}}
+
* HMDB : HMDB31325
−
{{#set: common name=OPC8-3-hydroxyacyl-CoA}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=PDDHCVXPABQISO-PEUIIYGWSA-J}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C12304 C12304]
−
{{#set: molecular weight=1055.92   }}
+
* CHEMSPIDER:
−
{{#set: common name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octa-3-hydroxy-2-enoyl-CoA}}
+
** [http://www.chemspider.com/Chemical-Structure.14569822.html 14569822]
−
{{#set: consumed by=RXN-10698}}
+
* CHEBI:
−
{{#set: produced by=RXN-10697}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31328 31328]
 +
* METABOLIGHTS : MTBLC31328
 +
{{#set: smiles=CCCCOC(=O)C}}
 +
{{#set: common name=butyl acetate}}
 +
{{#set: inchi key=InChIKey=DKPFZGUDAPQIHT-UHFFFAOYSA-N}}
 +
{{#set: molecular weight=116.16   }}
 +
{{#set: produced by=RXN-12362}}

Latest revision as of 19:34, 21 March 2018

Metabolite CPD-13346

  • smiles:
    • CCCCOC(=O)C
  • common name:
    • butyl acetate
  • inchi key:
    • InChIKey=DKPFZGUDAPQIHT-UHFFFAOYSA-N
  • molecular weight:
    • 116.16
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links



Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-13346&oldid=42486"