Difference between revisions of "CHC T00009157001"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-17896 RXN-17896] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=K-HEXANOYL-COA K-HEXANOYL-COA] == * smiles: ** CCCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-17896 RXN-17896] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=K-HEXANOYL-COA K-HEXANOYL-COA] ==
* direction:
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* smiles:
** LEFT-TO-RIGHT
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** CCCC(CC(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-])=O)=O
* ec number:
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* inchi key:
** [http://enzyme.expasy.org/EC/2.1.1 EC-2.1.1]
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** InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J
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* common name:
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** 3-oxohexanoyl-CoA
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* molecular weight:
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** 875.63   
 
* Synonym(s):
 
* Synonym(s):
 +
** ketohexanoyl-CoA
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** β-hexanoyl-CoA
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** ketohexanoyl-coenzyme-A
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** 3-ketohexanoyl-CoA
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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* [[RXN-12570]]
** 1 [[CPD-19220]][c] '''+''' 1 [[S-ADENOSYLMETHIONINE]][c] '''=>''' 1 [[ADENOSYL-HOMO-CYS]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[CPD-18779]][c]
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== Reaction(s) known to produce the compound ==
* With common name(s):
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* [[RXN-12565]]
** 1 (S)-demethyl-4-deoxygadusol[c] '''+''' 1 S-adenosyl-L-methionine[c] '''=>''' 1 S-adenosyl-L-homocysteine[c] '''+''' 1 H+[c] '''+''' 1 (S)-4-deoxygadusol[c]
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== Reaction(s) of unknown directionality ==
 
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[PWY-7751]], shinorine biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7751 PWY-7751]
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** '''6''' reactions found over '''8''' reactions in the full pathway
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== Reconstruction information  ==
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* [[gap-filling]]:
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** [[meneco]]:
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*** [[added for gapfilling]]
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== External links  ==
 
== External links  ==
{{#set: direction=LEFT-TO-RIGHT}}
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* CAS : 19774-86-8
{{#set: ec number=EC-2.1.1}}
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* METABOLIGHTS : MTBLC27648
{{#set: in pathway=PWY-7751}}
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* PUBCHEM:
{{#set: reconstruction category=gap-filling}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=53239804 53239804]
{{#set: reconstruction tool=meneco}}
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* HMDB : HMDB03943
{{#set: reconstruction source=added for gapfilling}}
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* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C05269 C05269]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62418 62418]
 +
* BIGG : 3ohcoa
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{{#set: smiles=CCCC(CC(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-])=O)=O}}
 +
{{#set: inchi key=InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J}}
 +
{{#set: common name=3-oxohexanoyl-CoA}}
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{{#set: molecular weight=875.63    }}
 +
{{#set: common name=ketohexanoyl-CoA|β-hexanoyl-CoA|ketohexanoyl-coenzyme-A|3-ketohexanoyl-CoA}}
 +
{{#set: consumed by=RXN-12570}}
 +
{{#set: produced by=RXN-12565}}

Revision as of 12:16, 18 January 2018

Metabolite K-HEXANOYL-COA

  • smiles:
    • CCCC(CC(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-])=O)=O
  • inchi key:
    • InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J
  • common name:
    • 3-oxohexanoyl-CoA
  • molecular weight:
    • 875.63
  • Synonym(s):
    • ketohexanoyl-CoA
    • β-hexanoyl-CoA
    • ketohexanoyl-coenzyme-A
    • 3-ketohexanoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 19774-86-8
  • METABOLIGHTS : MTBLC27648
  • PUBCHEM:
  • HMDB : HMDB03943
  • LIGAND-CPD:
  • CHEBI:
  • BIGG : 3ohcoa
"CCCC(CC(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-])=O)=O" cannot be used as a page name in this wiki.