Difference between revisions of "TOLUENE-DEG-CATECHOL-PWY"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15655 CPD-15655] == * smiles: ** CCCCCCCC=CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13755 CPD-13755] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[C...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15655 CPD-15655] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13755 CPD-13755] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCC=CCC(=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-]
+
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=HVXCCJIYXIZGOP-NADLOITOSA-J
+
** InChIKey=AKNIQSRWPADUMX-ODLRQIBISA-J
 
* common name:
 
* common name:
−
** 3-trans-undecenoyl-CoA
+
** 5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 929.765    
+
** 985.786    
 
* Synonym(s):
 
* Synonym(s):
−
** 3E-undecenoyl-CoA
+
** 5OH-HIP-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-14776]]
+
* [[RXN-12747]]
−
* [[RXN-14790]]
+
 
== 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=90659203 90659203]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=86290216 86290216]
−
{{#set: smiles=CCCCCCCC=CCC(=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-]}}
+
* CHEBI:
−
{{#set: inchi key=InChIKey=HVXCCJIYXIZGOP-NADLOITOSA-J}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=83738 83738]
−
{{#set: common name=3-trans-undecenoyl-CoA}}
+
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]}}
−
{{#set: molecular weight=929.765   }}
+
{{#set: inchi key=InChIKey=AKNIQSRWPADUMX-ODLRQIBISA-J}}
−
{{#set: common name=3E-undecenoyl-CoA}}
+
{{#set: common name=5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA}}
−
{{#set: produced by=RXN-14776|RXN-14790}}
+
{{#set: molecular weight=985.786   }}
 +
{{#set: common name=5OH-HIP-CoA}}
 +
{{#set: produced by=RXN-12747}}

Revision as of 20:43, 17 March 2018

Metabolite CPD-13755

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
  • inchi key:
    • InChIKey=AKNIQSRWPADUMX-ODLRQIBISA-J
  • common name:
    • 5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA
  • molecular weight:
    • 985.786
  • Synonym(s):
    • 5OH-HIP-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-" cannot be used as a page name in this wiki.
"5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA" cannot be used as a page name in this wiki.


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