Difference between revisions of "Tiso gene 20269"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7100 CPD-7100] == * smiles: ** CC(C(C(=O)[O-])C(=O)C(=O)[O-])C * inchi key: ** InChIKey=HII...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17621 CPD-17621] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)COP(=O)(O...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7100 CPD-7100] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17621 CPD-17621] ==
 
* smiles:
 
* smiles:
** CC(C(C(=O)[O-])C(=O)C(=O)[O-])C
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** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)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=HIIZAGQWABAMRR-BYPYZUCNSA-L
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** InChIKey=ROZGNNDROQHXPF-BBECNAHFSA-J
 
* common name:
 
* common name:
** (2S)-2-isopropyl-3-oxosuccinate
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** 16-hydroxypalmitoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 172.137    
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** 1017.914    
 
* Synonym(s):
 
* Synonym(s):
** 2-isopropyl-3-oxosuccinate
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** ω-hydroxy-hexadecanoyl-coenzyme A
 +
** ω-hydroxypalmitoyl-CoA
 +
** 16-hydroxy-hexadecanoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-7800]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[IMDH]]
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* [[RXN-16389]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[3-ISOPROPYLMALDEHYDROG-RXN]]
 
 
== External links  ==
 
== External links  ==
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C04236 C04236]
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17214 17214]
 
* BIGG : 3c4mop
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6419705 6419705]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=86583440 86583440]
* HMDB : HMDB12149
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* CHEBI:
{{#set: smiles=CC(C(C(=O)[O-])C(=O)C(=O)[O-])C}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=84207 84207]
{{#set: inchi key=InChIKey=HIIZAGQWABAMRR-BYPYZUCNSA-L}}
+
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)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=(2S)-2-isopropyl-3-oxosuccinate}}
+
{{#set: inchi key=InChIKey=ROZGNNDROQHXPF-BBECNAHFSA-J}}
{{#set: molecular weight=172.137   }}
+
{{#set: common name=16-hydroxypalmitoyl-CoA}}
{{#set: common name=2-isopropyl-3-oxosuccinate}}
+
{{#set: molecular weight=1017.914   }}
{{#set: consumed by=RXN-7800}}
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{{#set: common name=ω-hydroxy-hexadecanoyl-coenzyme A|ω-hydroxypalmitoyl-CoA|16-hydroxy-hexadecanoyl-CoA}}
{{#set: produced by=IMDH}}
+
{{#set: produced by=RXN-16389}}
{{#set: consumed or produced by=3-ISOPROPYLMALDEHYDROG-RXN}}
+

Revision as of 17:27, 10 January 2018

Metabolite CPD-17621

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)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=ROZGNNDROQHXPF-BBECNAHFSA-J
  • common name:
    • 16-hydroxypalmitoyl-CoA
  • molecular weight:
    • 1017.914
  • Synonym(s):
    • ω-hydroxy-hexadecanoyl-coenzyme A
    • ω-hydroxypalmitoyl-CoA
    • 16-hydroxy-hexadecanoyl-CoA

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(=O)CCCCCCCCCCCCCCCO)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.