Difference between revisions of "3-HYDROXYADIPYL-COA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13014 CPD-13014] == * smiles: ** CCCC(OCC(OC(CCC)=O)COC(CCC)=O)=O * inchi key: ** InChIKey=...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXYADIPYL-COA 3-HYDROXYADIPYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC(=O...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13014 CPD-13014] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXYADIPYL-COA 3-HYDROXYADIPYL-COA] ==
 
* smiles:
 
* smiles:
−
** CCCC(OCC(OC(CCC)=O)COC(CCC)=O)=O
+
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC(=O)[O-])O)=O)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=UYXTWWCETRIEDR-UHFFFAOYSA-N
+
** InChIKey=OTEACGAEDCIMBS-NOTSHUFBSA-I
 
* common name:
 
* common name:
−
** tributyrin
+
** (3S)-hydroxyadipyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 302.367    
+
** 906.621    
 
* Synonym(s):
 
* Synonym(s):
−
** butyryl triglyceride
 
−
** butanoic acid, 1,2,3-propanetriyl ester
 
−
** 1,2,3-tributyrylglycerol
 
−
** tributin
 
−
** tributyrinine
 
−
** glycerol tributyrate
 
−
** glyceryl tributyrate
 
−
** butyrin
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12086]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-2425]]
 +
* [[RXN0-2044]]
 
== External links  ==
 
== External links  ==
−
* LIGAND-CPD:
 
−
** [http://www.genome.jp/dbget-bin/www_bget?C13870 C13870]
 
−
* CHEMSPIDER:
 
−
** [http://www.chemspider.com/Chemical-Structure.13849665.html 13849665]
 
−
* CHEBI:
 
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=35020 35020]
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6050 6050]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=70679061 70679061]
−
* HMDB : HMDB31094
+
* CHEBI:
−
{{#set: smiles=CCCC(OCC(OC(CCC)=O)COC(CCC)=O)=O}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=70990 70990]
−
{{#set: inchi key=InChIKey=UYXTWWCETRIEDR-UHFFFAOYSA-N}}
+
* LIGAND-CPD:
−
{{#set: common name=tributyrin}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C14145 C14145]
−
{{#set: molecular weight=302.367   }}
+
* HMDB : HMDB12475
−
{{#set: common name=butyryl triglyceride|butanoic acid, 1,2,3-propanetriyl ester|1,2,3-tributyrylglycerol|tributin|tributyrinine|glycerol tributyrate|glyceryl tributyrate|butyrin}}
+
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC(=O)[O-])O)=O)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: consumed by=RXN-12086}}
+
{{#set: inchi key=InChIKey=OTEACGAEDCIMBS-NOTSHUFBSA-I}}
 +
{{#set: common name=(3S)-hydroxyadipyl-CoA}}
 +
{{#set: molecular weight=906.621   }}
 +
{{#set: reversible reaction associated=RXN-2425|RXN0-2044}}

Revision as of 18:00, 23 May 2018

Metabolite 3-HYDROXYADIPYL-COA

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC(=O)[O-])O)=O)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=OTEACGAEDCIMBS-NOTSHUFBSA-I
  • common name:
    • (3S)-hydroxyadipyl-CoA
  • molecular weight:
    • 906.621
  • Synonym(s):

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(CC(CCC(=O)[O-])O)=O)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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