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-698 CPD-698] == * smiles: ** CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC...")
(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-698 CPD-698] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXYADIPYL-COA 3-HYDROXYADIPYL-COA] ==
 
* smiles:
 
* smiles:
−
** CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))
+
** 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-]
 
* common name:
 
* common name:
−
** campest-4-en-3-one
+
** (3S)-hydroxyadipyl-CoA
 
* inchi key:
 
* inchi key:
−
** InChIKey=QQIOPZFVTIHASB-IMUDCKKOSA-N
+
** InChIKey=OTEACGAEDCIMBS-NOTSHUFBSA-I
 
* molecular weight:
 
* molecular weight:
−
** 398.671    
+
** 906.621    
 
* Synonym(s):
 
* Synonym(s):
−
** methylcholestenone
 
−
** (24R)-24-methyl-cholest-4-en-3-one
 
−
** 3-dehydro-Δ4-5-campesterol
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-711]]
 
−
* [[RXN-4231]]
 
 
== 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]]
 +
* [[RXN0-6513]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=11988279 11988279]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=70679061 70679061]
−
* HMDB : HMDB12196
+
* HMDB : HMDB12475
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=70990 70990]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C15785 C15785]
+
** [http://www.genome.jp/dbget-bin/www_bget?C14145 C14145]
−
{{#set: smiles=CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))}}
+
{{#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: common name=campest-4-en-3-one}}
+
{{#set: common name=(3S)-hydroxyadipyl-CoA}}
−
{{#set: inchi key=InChIKey=QQIOPZFVTIHASB-IMUDCKKOSA-N}}
+
{{#set: inchi key=InChIKey=OTEACGAEDCIMBS-NOTSHUFBSA-I}}
−
{{#set: molecular weight=398.671   }}
+
{{#set: molecular weight=906.621   }}
−
{{#set: common name=methylcholestenone|(24R)-24-methyl-cholest-4-en-3-one|3-dehydro-Δ4-5-campesterol}}
+
{{#set: reversible reaction associated=RXN-2425|RXN0-2044|RXN0-6513}}
−
{{#set: consumed by=RXN-711|RXN-4231}}
+

Latest revision as of 21:16, 21 March 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-]
  • common name:
    • (3S)-hydroxyadipyl-CoA
  • inchi key:
    • InChIKey=OTEACGAEDCIMBS-NOTSHUFBSA-I
  • 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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