Difference between revisions of "CPD-18346"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-HYDROXYMETHYLGLUTATHIONE S-HYDROXYMETHYLGLUTATHIONE] == * smiles: ** C(NC(=O)C(CSCO)NC(=O)CCC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18346 CPD-18346] == * smiles: ** CCCCCCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-HYDROXYMETHYLGLUTATHIONE S-HYDROXYMETHYLGLUTATHIONE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18346 CPD-18346] ==
 
* smiles:
 
* smiles:
** C(NC(=O)C(CSCO)NC(=O)CCC([N+])C(=O)[O-])C(=O)[O-]
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** CCCCCCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
 
* inchi key:
 
* inchi key:
** InChIKey=PIUSLWSYOYFRFR-BQBZGAKWSA-M
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** InChIKey=HEJOXXLSCAQQGQ-SAIINBSPSA-J
 
* common name:
 
* common name:
** S-hydroxymethylglutathione
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** cis-vaccenoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 336.339    
+
** 1027.953    
 
* Synonym(s):
 
* Synonym(s):
** glycine, N-(N-γ-L-S-(hydroxymethyl)-L-cysteinyl)-
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** (Z)-octadec-11-enoyl CoA
** HMGSH
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** (Z)-11-octadecenoic acyl-CoA
** HM-GSH
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** cis-11-octadecenoic acyl-CoA
** GS-CH2-OH
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** cis-octadec-11-enoic acyl-CoA
** hydroxymethylglutathione
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-2961]]
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* [[RXN-17011]]
* [[RXN-2962]]
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* [[RXN-17010]]
 +
* [[RXN-17784]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN0-7238]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN0-276]]
 
 
== External links  ==
 
== External links  ==
* BIGG : 2325420
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244017 25244017]
 
* HMDB : HMDB04662
 
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C14180 C14180]
 
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58758 58758]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=75354 75354]
* METABOLIGHTS : MTBLC58758
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{{#set: smiles=CCCCCCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}}
{{#set: smiles=C(NC(=O)C(CSCO)NC(=O)CCC([N+])C(=O)[O-])C(=O)[O-]}}
+
{{#set: inchi key=InChIKey=HEJOXXLSCAQQGQ-SAIINBSPSA-J}}
{{#set: inchi key=InChIKey=PIUSLWSYOYFRFR-BQBZGAKWSA-M}}
+
{{#set: common name=cis-vaccenoyl-CoA}}
{{#set: common name=S-hydroxymethylglutathione}}
+
{{#set: molecular weight=1027.953   }}
{{#set: molecular weight=336.339   }}
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{{#set: common name=(Z)-octadec-11-enoyl CoA|(Z)-11-octadecenoic acyl-CoA|cis-11-octadecenoic acyl-CoA|cis-octadec-11-enoic acyl-CoA}}
{{#set: common name=glycine, N-(N-γ-L-S-(hydroxymethyl)-L-cysteinyl)-|HMGSH|HM-GSH|GS-CH2-OH|hydroxymethylglutathione}}
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{{#set: consumed by=RXN-17011|RXN-17010|RXN-17784}}
{{#set: consumed by=RXN-2961|RXN-2962}}
+
{{#set: produced by=RXN0-7238}}
{{#set: reversible reaction associated=RXN0-276}}
+

Latest revision as of 19:34, 21 March 2018

Metabolite CPD-18346

  • smiles:
    • CCCCCCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
  • inchi key:
    • InChIKey=HEJOXXLSCAQQGQ-SAIINBSPSA-J
  • common name:
    • cis-vaccenoyl-CoA
  • molecular weight:
    • 1027.953
  • Synonym(s):
    • (Z)-octadec-11-enoyl CoA
    • (Z)-11-octadecenoic acyl-CoA
    • cis-11-octadecenoic acyl-CoA
    • cis-octadec-11-enoic acyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O" cannot be used as a page name in this wiki.