Difference between revisions of "K-HEXANOYL-COA"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13694 CPD-13694] == * smiles: ** CC(CCC(O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13694 CPD-13694] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=K-HEXANOYL-COA K-HEXANOYL-COA] ==
 
* smiles:
 
* smiles:
−
** CC(CCC(O)C(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-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))
+
** 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
 +
* molecular weight:
 +
** 875.63   
 
* inchi key:
 
* inchi key:
−
** InChIKey=LPAPCIXIEIQRQA-OQRFGCRRSA-J
+
** InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J
 
* common name:
 
* common name:
−
** 24-hydroxy-3-oxocholest-4-en-26-oyl-CoA
+
** 3-oxohexanoyl-CoA
−
* molecular weight:
+
−
** 1176.114   
+
 
* Synonym(s):
 
* Synonym(s):
−
** cholest-4-en-24-ol-3-one-26-oyl-CoA
+
** ketohexanoyl-CoA
 +
** β-hexanoyl-CoA
 +
** ketohexanoyl-coenzyme-A
 +
** 3-ketohexanoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12705]]
+
* [[RXN-12570]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12565]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* METABOLIGHTS : MTBLC27648
 +
* BIGG : 3ohcoa
 +
* CAS : 19774-86-8
 +
* HMDB : HMDB03943
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62418 62418]
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C05269 C05269]
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658714 90658714]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=53239804 53239804]
−
{{#set: smiles=CC(CCC(O)C(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-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))}}
+
{{#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=LPAPCIXIEIQRQA-OQRFGCRRSA-J}}
+
{{#set: molecular weight=875.63    }}
−
{{#set: common name=24-hydroxy-3-oxocholest-4-en-26-oyl-CoA}}
+
{{#set: inchi key=InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J}}
−
{{#set: molecular weight=1176.114    }}
+
{{#set: common name=3-oxohexanoyl-CoA}}
−
{{#set: common name=cholest-4-en-24-ol-3-one-26-oyl-CoA}}
+
{{#set: common name=ketohexanoyl-CoA|β-hexanoyl-CoA|ketohexanoyl-coenzyme-A|3-ketohexanoyl-CoA}}
−
{{#set: consumed by=RXN-12705}}
+
{{#set: consumed by=RXN-12570}}
 +
{{#set: produced by=RXN-12565}}

Latest revision as of 17:25, 9 January 2019

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
  • molecular weight:
    • 875.63
  • inchi key:
    • InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J
  • common name:
    • 3-oxohexanoyl-CoA
  • 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

  • METABOLIGHTS : MTBLC27648
  • BIGG : 3ohcoa
  • CAS : 19774-86-8
  • HMDB : HMDB03943
  • CHEBI:
  • LIGAND-CPD:
  • PUBCHEM:
"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.




Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=K-HEXANOYL-COA&oldid=21733"