Difference between revisions of "N-ALPHA-ACETYLORNITHINE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-MALEYL-ACETOACETATE 4-MALEYL-ACETOACETATE] == * smiles: ** C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17387 CPD-17387] == * smiles: ** CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-MALEYL-ACETOACETATE 4-MALEYL-ACETOACETATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17387 CPD-17387] ==
 
* smiles:
 
* smiles:
** C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O
+
** CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)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
 
* inchi key:
 
* inchi key:
** InChIKey=GACSIVHAIFQKTC-UPHRSURJSA-L
+
** InChIKey=JJCGUWRDULVWQG-DRXNPIJBSA-J
 
* common name:
 
* common name:
** 4-maleyl-acetoacetate
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** (3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 198.132    
+
** 1118.034    
 
* Synonym(s):
 
* Synonym(s):
 +
** (3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-16136]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[HGDO]]
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* [[RXN-16135]]
* [[HOMOGENTISATE-12-DIOXYGENASE-RXN]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460066 5460066]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193742 72193742]
* HMDB : HMDB02052
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C01036 C01036]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4573741.html 4573741]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17105 17105]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76356 76356]
* METABOLIGHTS : MTBLC17105
+
{{#set: smiles=CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)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}}
{{#set: smiles=C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O}}
+
{{#set: inchi key=InChIKey=JJCGUWRDULVWQG-DRXNPIJBSA-J}}
{{#set: inchi key=InChIKey=GACSIVHAIFQKTC-UPHRSURJSA-L}}
+
{{#set: common name=(3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA}}
{{#set: common name=4-maleyl-acetoacetate}}
+
{{#set: molecular weight=1118.034   }}
{{#set: molecular weight=198.132   }}
+
{{#set: common name=(3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl-CoA}}
{{#set: produced by=HGDO|HOMOGENTISATE-12-DIOXYGENASE-RXN}}
+
{{#set: consumed by=RXN-16136}}
 +
{{#set: produced by=RXN-16135}}

Revision as of 17:39, 10 January 2018

Metabolite CPD-17387

  • smiles:
    • CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)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
  • inchi key:
    • InChIKey=JJCGUWRDULVWQG-DRXNPIJBSA-J
  • common name:
    • (3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA
  • molecular weight:
    • 1118.034
  • Synonym(s):
    • (3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)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" cannot be used as a page name in this wiki.