Difference between revisions of "CPD-592"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15684 CPD-15684] == * smiles: ** CCCCCCC=CC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-592 CPD-592] == * smiles: ** C([O-])(=O)CCCNC(=[N+])N * inchi key: ** InChIKey=TUHVEAJXIMEO...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15684 CPD-15684] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-592 CPD-592] ==
 
* smiles:
 
* smiles:
−
** CCCCCCC=CC=CCCCC(=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([O-])(=O)CCCNC(=[N+])N
 
* inchi key:
 
* inchi key:
−
** InChIKey=AMANZGDVBADZLH-QTJPLKLFSA-J
+
** InChIKey=TUHVEAJXIMEOSA-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** 5-cis, 7-trans-tetradecadienoyl-CoA
+
** 4-guanidinobutanoate
 
* molecular weight:
 
* molecular weight:
−
** 969.83    
+
** 145.161    
 
* Synonym(s):
 
* Synonym(s):
−
** 5Z, 7E-tetradecadienoyl-CoA
+
** 4-guanido-butyrate
 +
** γ-guanidinobutyrate
 +
** 4-guanidinobutyrate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-14796]]
+
* [[GUANIDINOBUTYRASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[GUANIDINOBUTANAMIDE-NH3-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C01035 C01035]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57486 57486]
 +
* METABOLIGHTS : MTBLC57486
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659270 90659270]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25200642 25200642]
−
{{#set: smiles=CCCCCCC=CC=CCCCC(=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-]}}
+
* HMDB : HMDB03464
−
{{#set: inchi key=InChIKey=AMANZGDVBADZLH-QTJPLKLFSA-J}}
+
{{#set: smiles=C([O-])(=O)CCCNC(=[N+])N}}
−
{{#set: common name=5-cis, 7-trans-tetradecadienoyl-CoA}}
+
{{#set: inchi key=InChIKey=TUHVEAJXIMEOSA-UHFFFAOYSA-N}}
−
{{#set: molecular weight=969.83   }}
+
{{#set: common name=4-guanidinobutanoate}}
−
{{#set: common name=5Z, 7E-tetradecadienoyl-CoA}}
+
{{#set: molecular weight=145.161   }}
−
{{#set: consumed by=RXN-14796}}
+
{{#set: common name=4-guanido-butyrate|γ-guanidinobutyrate|4-guanidinobutyrate}}
 +
{{#set: consumed by=GUANIDINOBUTYRASE-RXN}}
 +
{{#set: produced by=GUANIDINOBUTANAMIDE-NH3-RXN}}

Revision as of 16:38, 23 May 2018

Metabolite CPD-592

  • smiles:
    • C([O-])(=O)CCCNC(=[N+])N
  • inchi key:
    • InChIKey=TUHVEAJXIMEOSA-UHFFFAOYSA-N
  • common name:
    • 4-guanidinobutanoate
  • molecular weight:
    • 145.161
  • Synonym(s):
    • 4-guanido-butyrate
    • γ-guanidinobutyrate
    • 4-guanidinobutyrate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57486
  • PUBCHEM:
  • HMDB : HMDB03464
"C([O-])(=O)CCCNC(=[N+])N" cannot be used as a page name in this wiki.




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