Difference between revisions of "CPD0-2107"

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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...")
 
 
Line 3: Line 3:
 
* 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
 
** 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
* common name:
 
** (S)-3-hydroxydodecanoyl-CoA
 
* inchi key:
 
** InChIKey=IJFLXRCJWPKGKJ-LXIXEQKWSA-J
 
 
* molecular weight:
 
* molecular weight:
 
** 961.807     
 
** 961.807     
 +
* inchi key:
 +
** InChIKey=IJFLXRCJWPKGKJ-LXIXEQKWSA-J
 +
* common name:
 +
** (S)-3-hydroxydodecanoyl-CoA
 
* Synonym(s):
 
* Synonym(s):
  
Line 14: Line 14:
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[HACD5]]
 
* [[ECOAH5h]]
 
* [[ECOAH5]]
 
 
* [[ECOAH5m]]
 
* [[ECOAH5m]]
 +
* [[ECOAH5]]
 
* [[HACD5h]]
 
* [[HACD5h]]
 +
* [[ECOAH5h]]
 +
* [[HACD5]]
 
* [[HACD5m]]
 
* [[HACD5m]]
 
== External links  ==
 
== External links  ==
* LIGAND-CPD:
+
* PUBCHEM:
** [http://www.genome.jp/dbget-bin/www_bget?C05262 C05262]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173081 46173081]
* HMDB : HMDB03936
+
* REFMET : 3-hydroxylauroyl-CoA
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62558 62558]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62558 62558]
 +
* HMDB : HMDB03936
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C05262 C05262]
 
* BIGG : 3hddcoa
 
* BIGG : 3hddcoa
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173081 46173081]
 
 
{{#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: 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: common name=(S)-3-hydroxydodecanoyl-CoA}}
 
{{#set: inchi key=InChIKey=IJFLXRCJWPKGKJ-LXIXEQKWSA-J}}
 
 
{{#set: molecular weight=961.807    }}
 
{{#set: molecular weight=961.807    }}
{{#set: reversible reaction associated=HACD5|ECOAH5h|ECOAH5|ECOAH5m|HACD5h|HACD5m}}
+
{{#set: inchi key=InChIKey=IJFLXRCJWPKGKJ-LXIXEQKWSA-J}}
 +
{{#set: common name=(S)-3-hydroxydodecanoyl-CoA}}
 +
{{#set: reversible reaction associated=ECOAH5m|ECOAH5|HACD5h|ECOAH5h|HACD5|HACD5m}}

Latest revision as of 12:04, 10 January 2019

Metabolite CPD0-2107

  • 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
  • molecular weight:
    • 961.807
  • inchi key:
    • InChIKey=IJFLXRCJWPKGKJ-LXIXEQKWSA-J
  • common name:
    • (S)-3-hydroxydodecanoyl-CoA
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • REFMET : 3-hydroxylauroyl-CoA
  • CHEBI:
  • HMDB : HMDB03936
  • LIGAND-CPD:
  • BIGG : 3hddcoa
"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" cannot be used as a page name in this wiki.