Difference between revisions of "PWY-321"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12017 CPD-12017] == * smiles: ** CC(=O)NCCC1(=CNC2(=CC=C(OS([O-])(=O)=O)C=C12)) * inchi key...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=K-HEXANOYL-COA K-HEXANOYL-COA] == * smiles: ** CCCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12017 CPD-12017] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=K-HEXANOYL-COA K-HEXANOYL-COA] ==
 
* smiles:
 
* smiles:
** CC(=O)NCCC1(=CNC2(=CC=C(OS([O-])(=O)=O)C=C12))
+
** CCCC(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)=O
 
* inchi key:
 
* inchi key:
** InChIKey=UCAJZNVFRVLULS-UHFFFAOYSA-M
+
** InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J
 
* common name:
 
* common name:
** N-acetyl-serotonin sulfate
+
** 3-oxohexanoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 297.305    
+
** 875.63    
 
* Synonym(s):
 
* Synonym(s):
** N-acetyl-5-hydroxytryptamine sulfate
+
** ketohexanoyl-CoA
 +
** β-hexanoyl-CoA
 +
** ketohexanoyl-coenzyme-A
 +
** 3-ketohexanoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12570]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-11059]]
+
* [[RXN-12565]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 19774-86-8
 +
* BIGG : 45468
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45479248 45479248]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=53239804 53239804]
* HMDB : HMDB60834
+
* HMDB : HMDB03943
{{#set: smiles=CC(=O)NCCC1(=CNC2(=CC=C(OS([O-])(=O)=O)C=C12))}}
+
* LIGAND-CPD:
{{#set: inchi key=InChIKey=UCAJZNVFRVLULS-UHFFFAOYSA-M}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05269 C05269]
{{#set: common name=N-acetyl-serotonin sulfate}}
+
* CHEBI:
{{#set: molecular weight=297.305   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62418 62418]
{{#set: common name=N-acetyl-5-hydroxytryptamine sulfate}}
+
* METABOLIGHTS : MTBLC27648
{{#set: produced by=RXN-11059}}
+
{{#set: smiles=CCCC(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)=O}}
 +
{{#set: inchi key=InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J}}
 +
{{#set: common name=3-oxohexanoyl-CoA}}
 +
{{#set: molecular weight=875.63   }}
 +
{{#set: common name=ketohexanoyl-CoA|β-hexanoyl-CoA|ketohexanoyl-coenzyme-A|3-ketohexanoyl-CoA}}
 +
{{#set: consumed by=RXN-12570}}
 +
{{#set: produced by=RXN-12565}}

Revision as of 13:31, 21 March 2018

Metabolite K-HEXANOYL-COA

  • smiles:
    • CCCC(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)=O
  • inchi key:
    • InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J
  • common name:
    • 3-oxohexanoyl-CoA
  • molecular weight:
    • 875.63
  • Synonym(s):
    • ketohexanoyl-CoA
    • β-hexanoyl-CoA
    • ketohexanoyl-coenzyme-A
    • 3-ketohexanoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 19774-86-8
  • BIGG : 45468
  • PUBCHEM:
  • HMDB : HMDB03943
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC27648
"CCCC(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)=O" cannot be used as a page name in this wiki.