Difference between revisions of "CPD0-2123"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17624 CPD-17624] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-]...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2123 CPD0-2123] == * smiles: ** CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17624 CPD-17624] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2123 CPD0-2123] ==
 
* smiles:
 
* smiles:
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-])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-]
+
** CCCCCCCC(=O)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-]
 
* inchi key:
 
* inchi key:
** InChIKey=IISWKVFHQLAOMW-BTFUZUOASA-I
+
** InChIKey=AZCVXMAPLHSIKY-HSJNEKGZSA-J
 
* common name:
 
* common name:
** ω-carboxy-(9Z)-octadec-9-enoyl-CoA
+
** 3-oxodecanoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 1056.928    
+
** 931.738    
 
* Synonym(s):
 
* Synonym(s):
** 18-carboxyl oleoyl-CoA
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-13617]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-16418]]
+
* [[RXN-12490]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* BIGG : 3odcoa
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820430 91820430]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=53262297 53262297]
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-])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-]}}
+
* HMDB : HMDB03939
{{#set: inchi key=InChIKey=IISWKVFHQLAOMW-BTFUZUOASA-I}}
+
* LIGAND-CPD:
{{#set: common name=ω-carboxy-(9Z)-octadec-9-enoyl-CoA}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05265 C05265]
{{#set: molecular weight=1056.928   }}
+
* CHEBI:
{{#set: common name=18-carboxyl oleoyl-CoA}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62548 62548]
{{#set: produced by=RXN-16418}}
+
* METABOLIGHTS : MTBLC28528
 +
{{#set: smiles=CCCCCCCC(=O)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-]}}
 +
{{#set: inchi key=InChIKey=AZCVXMAPLHSIKY-HSJNEKGZSA-J}}
 +
{{#set: common name=3-oxodecanoyl-CoA}}
 +
{{#set: molecular weight=931.738   }}
 +
{{#set: consumed by=RXN-13617}}
 +
{{#set: produced by=RXN-12490}}

Revision as of 16:53, 23 May 2018

Metabolite CPD0-2123

  • smiles:
    • CCCCCCCC(=O)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-]
  • inchi key:
    • InChIKey=AZCVXMAPLHSIKY-HSJNEKGZSA-J
  • common name:
    • 3-oxodecanoyl-CoA
  • molecular weight:
    • 931.738
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • BIGG : 3odcoa
  • PUBCHEM:
  • HMDB : HMDB03939
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC28528
"CCCCCCCC(=O)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-" cannot be used as a page name in this wiki.