Difference between revisions of "METHFth"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2107 CPD0-2107] == * smiles: ** CCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)O...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15667 CPD-15667] == * smiles: ** CCCCCCC=CCCC(=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=CPD0-2107 CPD0-2107] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15667 CPD-15667] ==
 
* smiles:
 
* smiles:
** CCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
+
** CCCCCCC=CCCC(=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=IJFLXRCJWPKGKJ-LXIXEQKWSA-J
+
** InChIKey=FDXHXLPCLXEYSU-DXAZUOFZSA-J
 
* common name:
 
* common name:
** (S)-3-hydroxydodecanoyl-CoA
+
** 6-cis, 3-oxo-tridecenoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 961.807    
+
** 971.802    
 
* Synonym(s):
 
* Synonym(s):
 +
** 6Z, 3-oxo-tridecenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-14774]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[HACD5m]]
 
* [[HACD5]]
 
 
== External links  ==
 
== External links  ==
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C05262 C05262]
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62558 62558]
 
* BIGG : 3hddcoa
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173081 46173081]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657308 90657308]
* HMDB : HMDB03936
+
{{#set: smiles=CCCCCCC=CCCC(=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-]}}
{{#set: smiles=CCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}}
+
{{#set: inchi key=InChIKey=FDXHXLPCLXEYSU-DXAZUOFZSA-J}}
{{#set: inchi key=InChIKey=IJFLXRCJWPKGKJ-LXIXEQKWSA-J}}
+
{{#set: common name=6-cis, 3-oxo-tridecenoyl-CoA}}
{{#set: common name=(S)-3-hydroxydodecanoyl-CoA}}
+
{{#set: molecular weight=971.802   }}
{{#set: molecular weight=961.807   }}
+
{{#set: common name=6Z, 3-oxo-tridecenoyl-CoA}}
{{#set: consumed or produced by=HACD5m|HACD5}}
+
{{#set: consumed by=RXN-14774}}

Revision as of 16:17, 10 January 2018

Metabolite CPD-15667

  • smiles:
    • CCCCCCC=CCCC(=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=FDXHXLPCLXEYSU-DXAZUOFZSA-J
  • common name:
    • 6-cis, 3-oxo-tridecenoyl-CoA
  • molecular weight:
    • 971.802
  • Synonym(s):
    • 6Z, 3-oxo-tridecenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=CCCC(=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.