Difference between revisions of "CPD-13534"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LL-DIAMINOPIMELATE LL-DIAMINOPIMELATE] == * smiles: ** C(C(CCCC(C([O-])=O)[N+])[N+])([O-])=O *...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13534 CPD-13534] == * smiles: ** CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OC...")
 
(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=LL-DIAMINOPIMELATE LL-DIAMINOPIMELATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13534 CPD-13534] ==
 
* smiles:
 
* smiles:
−
** C(C(CCCC(C([O-])=O)[N+])[N+])([O-])=O
+
** CCC(=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=GMKMEZVLHJARHF-WHFBIAKZSA-N
+
 
* common name:
 
* common name:
−
** L,L-diaminopimelate
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** β-ketovaleryl-CoA
 +
* inchi key:
 +
** InChIKey=WIOQNWTZBOQTEU-ZMHDXICWSA-J
 
* molecular weight:
 
* molecular weight:
−
** 190.199    
+
** 861.604    
 
* Synonym(s):
 
* Synonym(s):
−
** L,L-A2pm
 
−
** L,L-DAP
 
−
** L,L-2,6-diaminopimelate
 
−
** L,L-2,6-diaminoheptanedioate
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-7737]]
+
* [[RXN-12560]]
−
* [[DIAMINOPIMEPIM-RXN]]
+
* [[RXN-12561]]
 
== External links  ==
 
== External links  ==
−
* CAS : 583-93-7
 
−
* CAS : 14289-34-0
 
−
* METABOLIGHTS : MTBLC57609
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1549100 1549100]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658928 90658928]
−
* HMDB : HMDB01370
+
{{#set: smiles=CCC(=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-]}}
−
* LIGAND-CPD:
+
{{#set: common name=β-ketovaleryl-CoA}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C00666 C00666]
+
{{#set: inchi key=InChIKey=WIOQNWTZBOQTEU-ZMHDXICWSA-J}}
−
* CHEBI:
+
{{#set: molecular weight=861.604   }}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57609 57609]
+
{{#set: reversible reaction associated=RXN-12560|RXN-12561}}
−
* BIGG : 26dap_LL
+
−
{{#set: smiles=C(C(CCCC(C([O-])=O)[N+])[N+])([O-])=O}}
+
−
{{#set: inchi key=InChIKey=GMKMEZVLHJARHF-WHFBIAKZSA-N}}
+
−
{{#set: common name=L,L-diaminopimelate}}
+
−
{{#set: molecular weight=190.199   }}
+
−
{{#set: common name=L,L-A2pm|L,L-DAP|L,L-2,6-diaminopimelate|L,L-2,6-diaminoheptanedioate}}
+
−
{{#set: reversible reaction associated=RXN-7737|DIAMINOPIMEPIM-RXN}}
+

Latest revision as of 19:34, 21 March 2018

Metabolite CPD-13534

  • smiles:
    • CCC(=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-]
  • common name:
    • β-ketovaleryl-CoA
  • inchi key:
    • InChIKey=WIOQNWTZBOQTEU-ZMHDXICWSA-J
  • molecular weight:
    • 861.604
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC(=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.



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