Difference between revisions of "CPD-12173"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-5846 CPD-5846] == * smiles: ** CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12173 CPD-12173] == * smiles: ** CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-5846 CPD-5846] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12173 CPD-12173] ==
 
* smiles:
 
* smiles:
−
** CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-])=O)C(CCC(C)12)O))3))4))
+
** CC(C(=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-])CO
 
* inchi key:
 
* inchi key:
−
** InChIKey=UQFZKTIHSICSPG-DSHYQQBWSA-M
+
** InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J
 
* common name:
 
* common name:
−
** 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate
+
** (S)-3-hydroxy-isobutanoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 443.688    
+
** 849.593    
 
* Synonym(s):
 
* Synonym(s):
−
** 17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid
+
** (S)-3-hydroxy-2-methylpropanoyl-CoA
 +
** (S)-3-hydroxy-isobutyryl-coenzyme A
 +
** (S)-3-Hydroxy-2-methylpropionyl-CoA
 +
** (S)-β-hydroxy-isobutyryl-CoA
 +
** (S)-3-hydroxy-isobutyryl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[1.1.1.170-RXN]]
+
* [[METHYLACYLYLCOA-HYDROXY-RXN]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21145105 21145105]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173510 46173510]
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.20015982.html 20015982]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58387 58387]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62611 62611]
 +
* METABOLIGHTS : MTBLC28259
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C04840 C04840]
+
** [http://www.genome.jp/dbget-bin/www_bget?C06000 C06000]
−
* HMDB : HMDB11662
+
{{#set: smiles=CC(C(=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-])CO}}
−
{{#set: smiles=CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-])=O)C(CCC(C)12)O))3))4))}}
+
{{#set: inchi key=InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J}}
−
{{#set: inchi key=InChIKey=UQFZKTIHSICSPG-DSHYQQBWSA-M}}
+
{{#set: common name=(S)-3-hydroxy-isobutanoyl-CoA}}
−
{{#set: common name=3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate}}
+
{{#set: molecular weight=849.593   }}
−
{{#set: molecular weight=443.688   }}
+
{{#set: common name=(S)-3-hydroxy-2-methylpropanoyl-CoA|(S)-3-hydroxy-isobutyryl-coenzyme A|(S)-3-Hydroxy-2-methylpropionyl-CoA|(S)-β-hydroxy-isobutyryl-CoA|(S)-3-hydroxy-isobutyryl-CoA}}
−
{{#set: common name=17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid}}
+
{{#set: consumed by=3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN}}
−
{{#set: reversible reaction associated=1.1.1.170-RXN}}
+
{{#set: reversible reaction associated=METHYLACYLYLCOA-HYDROXY-RXN}}

Latest revision as of 19:36, 21 March 2018

Metabolite CPD-12173

  • smiles:
    • CC(C(=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-])CO
  • inchi key:
    • InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J
  • common name:
    • (S)-3-hydroxy-isobutanoyl-CoA
  • molecular weight:
    • 849.593
  • Synonym(s):
    • (S)-3-hydroxy-2-methylpropanoyl-CoA
    • (S)-3-hydroxy-isobutyryl-coenzyme A
    • (S)-3-Hydroxy-2-methylpropionyl-CoA
    • (S)-β-hydroxy-isobutyryl-CoA
    • (S)-3-hydroxy-isobutyryl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C(=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-])CO" cannot be used as a page name in this wiki.




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