Difference between revisions of "PWY-5913"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOLE_ACETALDEHYDE INDOLE_ACETALDEHYDE] == * smiles: ** C(CC1(C2(=C(NC=1)C=CC=C2)))=O * inchi...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19157 CPD-19157] == * smiles: ** CCCCCCC=CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOLE_ACETALDEHYDE INDOLE_ACETALDEHYDE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19157 CPD-19157] ==
 
* smiles:
 
* smiles:
** C(CC1(C2(=C(NC=1)C=CC=C2)))=O
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** CCCCCCC=CCCCC(=O)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-]
 
* inchi key:
 
* inchi key:
** InChIKey=WHOOUMGHGSPMGR-UHFFFAOYSA-N
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** InChIKey=BEPLLRGJVXAEJI-TWAFKMGKSA-J
 
* common name:
 
* common name:
** indole acetaldehyde
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** 3-oxo-(7Z)-tetradecenoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 159.187    
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** 985.829    
 
* Synonym(s):
 
* Synonym(s):
** indole-3-acetaldehyde
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** 3-oxo-14:1-Δ7-CoA
** 2-(indol-3-yl)acetaldehyde
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** 3-oxo-7-cis-tetradecenoyl-CoA
** (indol-3-yl)acetaldehyde
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-5581]]
 
* [[RXN-10715]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-17794]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 2591-98-2
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{{#set: smiles=CCCCCCC=CCCCC(=O)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-]}}
* PUBCHEM:
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{{#set: inchi key=InChIKey=BEPLLRGJVXAEJI-TWAFKMGKSA-J}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=800 800]
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{{#set: common name=3-oxo-(7Z)-tetradecenoyl-CoA}}
* HMDB : HMDB01190
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{{#set: molecular weight=985.829   }}
* LIGAND-CPD:
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{{#set: common name=3-oxo-14:1-Δ7-CoA|3-oxo-7-cis-tetradecenoyl-CoA}}
** [http://www.genome.jp/dbget-bin/www_bget?C00637 C00637]
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{{#set: produced by=RXN-17794}}
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.778.html 778]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18086 18086]
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* METABOLIGHTS : MTBLC18086
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{{#set: smiles=C(CC1(C2(=C(NC=1)C=CC=C2)))=O}}
+
{{#set: inchi key=InChIKey=WHOOUMGHGSPMGR-UHFFFAOYSA-N}}
+
{{#set: common name=indole acetaldehyde}}
+
{{#set: molecular weight=159.187   }}
+
{{#set: common name=indole-3-acetaldehyde|2-(indol-3-yl)acetaldehyde|(indol-3-yl)acetaldehyde}}
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{{#set: consumed by=RXN-5581|RXN-10715}}
+

Revision as of 13:11, 21 March 2018

Metabolite CPD-19157

  • smiles:
    • CCCCCCC=CCCCC(=O)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-]
  • inchi key:
    • InChIKey=BEPLLRGJVXAEJI-TWAFKMGKSA-J
  • common name:
    • 3-oxo-(7Z)-tetradecenoyl-CoA
  • molecular weight:
    • 985.829
  • Synonym(s):
    • 3-oxo-14:1-Δ7-CoA
    • 3-oxo-7-cis-tetradecenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=CCCCC(=O)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.