Difference between revisions of "Tiso gene 3425"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-BETA-HYDROXYANDROST-5-EN-17-ONE 3-BETA-HYDROXYANDROST-5-EN-17-ONE] == * smiles: ** CC24(CCC(O...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-METHYL-CROTONYL-COA 3-METHYL-CROTONYL-COA] == * smiles: ** CC(=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-BETA-HYDROXYANDROST-5-EN-17-ONE 3-BETA-HYDROXYANDROST-5-EN-17-ONE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-METHYL-CROTONYL-COA 3-METHYL-CROTONYL-COA] ==
 
* smiles:
 
* smiles:
−
** CC24(CCC(O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)
+
** CC(=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-])C
 
* inchi key:
 
* inchi key:
−
** InChIKey=FMGSKLZLMKYGDP-USOAJAOKSA-N
+
** InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J
 
* common name:
 
* common name:
−
** 3-β-hydroxyandrost-5-en-17-one
+
** 3-methylcrotonyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 288.429    
+
** 845.604    
 
* Synonym(s):
 
* Synonym(s):
−
** dehydroepiandrosterone
+
** β-methylcrotonoyl-CoA
−
** dehydroisoandrosterone
+
** 3-methylbut-2-enoyl-CoA
−
** DHA
+
−
** DHEA
+
−
** androst-5-en-17-one, 3-hydroxy-, (3β)-
+
−
** androstenolone
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN66-342]]
+
* [[METHYLCROTONYL-COA-CARBOXYLASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN0-2301]]
 +
* [[RXN-11921]]
 +
* [[IVCDH]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-14264]]
 
== External links  ==
 
== External links  ==
−
* DRUGBANK : DB01708
 
−
* NCI:
 
−
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=9896 9896]
 
−
* CAS : 53-43-0
 
−
* LIPID_MAPS : LMST02020021
 
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5881 5881]
 
−
* HMDB : HMDB00077
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C01227 C01227]
+
** [http://www.genome.jp/dbget-bin/www_bget?C03069 C03069]
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.5670.html 5670]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28689 28689]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57344 57344]
−
* METABOLIGHTS : MTBLC28689
+
* METABOLIGHTS : MTBLC57344
−
{{#set: smiles=CC24(CCC(O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)}}
+
* PUBCHEM:
−
{{#set: inchi key=InChIKey=FMGSKLZLMKYGDP-USOAJAOKSA-N}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266575 45266575]
−
{{#set: common name=3-β-hydroxyandrost-5-en-17-one}}
+
* HMDB : HMDB01493
−
{{#set: molecular weight=288.429   }}
+
{{#set: smiles=CC(=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-])C}}
−
{{#set: common name=dehydroepiandrosterone|dehydroisoandrosterone|DHA|DHEA|androst-5-en-17-one, 3-hydroxy-, (3β)-|androstenolone}}
+
{{#set: inchi key=InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J}}
−
{{#set: consumed by=RXN66-342}}
+
{{#set: common name=3-methylcrotonyl-CoA}}
 +
{{#set: molecular weight=845.604   }}
 +
{{#set: common name=β-methylcrotonoyl-CoA|3-methylbut-2-enoyl-CoA}}
 +
{{#set: consumed by=METHYLCROTONYL-COA-CARBOXYLASE-RXN}}
 +
{{#set: produced by=RXN0-2301|RXN-11921|IVCDH}}
 +
{{#set: consumed or produced by=RXN-14264}}

Revision as of 16:49, 10 January 2018

Metabolite 3-METHYL-CROTONYL-COA

  • smiles:
    • CC(=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-])C
  • inchi key:
    • InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J
  • common name:
    • 3-methylcrotonyl-CoA
  • molecular weight:
    • 845.604
  • Synonym(s):
    • β-methylcrotonoyl-CoA
    • 3-methylbut-2-enoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57344
  • PUBCHEM:
  • HMDB : HMDB01493
"CC(=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-])C" cannot be used as a page name in this wiki.




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