Difference between revisions of "Ec-01 002370"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7087 CPD-7087] == * smiles: ** C3(C(C2(OC1(C=C(C=C(C=1C(C2O)=O)O)[O-])))=CC(=C(C=3O)O)O) *...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2105 CPD0-2105] == * smiles: ** CCCCCCCCCC(=O)CC(=O)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-7087 CPD-7087] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2105 CPD0-2105] ==
 
* smiles:
 
* smiles:
−
** C3(C(C2(OC1(C=C(C=C(C=1C(C2O)=O)O)[O-])))=CC(=C(C=3O)O)O)
+
** CCCCCCCCCC(=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=KJXSIXMJHKAJOD-LSDHHAIUSA-M
+
** InChIKey=HQANBZHVWIDNQZ-GMHMEAMDSA-J
 
* common name:
 
* common name:
−
** (+)-dihydromyricetin
+
** 3-oxododecanoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 319.247    
+
** 959.791    
 
* Synonym(s):
 
* Synonym(s):
−
** (+)-ampelopsin
+
** 3-oxolauroyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-8450]]
 
−
* [[RXN-7784]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-7922]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-14274]]
 
== External links  ==
 
== External links  ==
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244375 25244375]
 
−
* CHEBI:
 
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28429 28429]
 
−
* METABOLIGHTS : MTBLC28429
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C02906 C02906]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05263 C05263]
−
{{#set: smiles=C3(C(C2(OC1(C=C(C=C(C=1C(C2O)=O)O)[O-])))=CC(=C(C=3O)O)O)}}
+
* CHEBI:
−
{{#set: inchi key=InChIKey=KJXSIXMJHKAJOD-LSDHHAIUSA-M}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62615 62615]
−
{{#set: common name=(+)-dihydromyricetin}}
+
* BIGG : 45453
−
{{#set: molecular weight=319.247   }}
+
* PUBCHEM:
−
{{#set: common name=(+)-ampelopsin}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173506 46173506]
−
{{#set: consumed by=RXN-8450|RXN-7784}}
+
* HMDB : HMDB03937
−
{{#set: produced by=RXN-7922}}
+
{{#set: smiles=CCCCCCCCCC(=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: inchi key=InChIKey=HQANBZHVWIDNQZ-GMHMEAMDSA-J}}
 +
{{#set: common name=3-oxododecanoyl-CoA}}
 +
{{#set: molecular weight=959.791   }}
 +
{{#set: common name=3-oxolauroyl-CoA}}
 +
{{#set: reversible reaction associated=RXN-14274}}

Revision as of 20:34, 17 March 2018

Metabolite CPD0-2105

  • smiles:
    • CCCCCCCCCC(=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=HQANBZHVWIDNQZ-GMHMEAMDSA-J
  • common name:
    • 3-oxododecanoyl-CoA
  • molecular weight:
    • 959.791
  • Synonym(s):
    • 3-oxolauroyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCCC(=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.



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