Difference between revisions of "Tiso gene 11842"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LAUROYLCOA-CPD LAUROYLCOA-CPD] == * smiles: ** CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17049 CPD-17049] == * smiles: ** C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2) * common name...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LAUROYLCOA-CPD LAUROYLCOA-CPD] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17049 CPD-17049] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCC(=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)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2)
−
* inchi key:
+
−
** InChIKey=YMCXGHLSVALICC-GMHMEAMDSA-J
+
 
* common name:
 
* common name:
−
** lauroyl-CoA
+
** 3-benzyl-3,6 -dithio-6-(hydroxymethyl)-diketopiperazine
 +
* inchi key:
 +
** InChIKey=VZGSJJJQZPTKGR-VXGBXAGGSA-N
 
* molecular weight:
 
* molecular weight:
−
** 945.808    
+
** 298.374    
 
* Synonym(s):
 
* Synonym(s):
−
** dodecanoyl-CoA (n-C12:0CoA)
+
** 3-benzyl-3,6 -dithio-6-(hydroxymethyl)-DKP
−
** lauroyl coenzyme A
+
** 3-benzyl-3,6 -dithio-6-(hydroxymethyl)piperazine-2,5-dione
−
** dodecanoyl-CoA
+
** 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-diketopiperazine
 +
** 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-DKP
 +
** 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)piperazine-2,5-dione
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-9627]]
+
* [[RXN-15684]]
−
* [[ACOA120or]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-16393]]
 
−
* [[RXN-14268]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[ACACT6]]
 
−
* [[RXN-14262]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 6244-92-4
 
−
* METABOLIGHTS : MTBLC57375
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25113193 25113193]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658023 90658023]
−
* HMDB : HMDB03571
+
{{#set: smiles=C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2)}}
−
* LIGAND-CPD:
+
{{#set: common name=3-benzyl-3,6 -dithio-6-(hydroxymethyl)-diketopiperazine}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C01832 C01832]
+
{{#set: inchi key=InChIKey=VZGSJJJQZPTKGR-VXGBXAGGSA-N}}
−
* CHEBI:
+
{{#set: molecular weight=298.374   }}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57375 57375]
+
{{#set: common name=3-benzyl-3,6 -dithio-6-(hydroxymethyl)-DKP|3-benzyl-3,6 -dithio-6-(hydroxymethyl)piperazine-2,5-dione|3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-diketopiperazine|3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-DKP|3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)piperazine-2,5-dione}}
−
* BIGG : ddcacoa
+
{{#set: consumed by=RXN-15684}}
−
{{#set: smiles=CCCCCCCCCCCC(=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=YMCXGHLSVALICC-GMHMEAMDSA-J}}
+
−
{{#set: common name=lauroyl-CoA}}
+
−
{{#set: molecular weight=945.808   }}
+
−
{{#set: common name=dodecanoyl-CoA (n-C12:0CoA)|lauroyl coenzyme A|dodecanoyl-CoA}}
+
−
{{#set: consumed by=RXN-9627|ACOA120or}}
+
−
{{#set: produced by=RXN-16393|RXN-14268}}
+
−
{{#set: reversible reaction associated=ACACT6|RXN-14262}}
+

Revision as of 15:42, 21 March 2018

Metabolite CPD-17049

  • smiles:
    • C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2)
  • common name:
    • 3-benzyl-3,6 -dithio-6-(hydroxymethyl)-diketopiperazine
  • inchi key:
    • InChIKey=VZGSJJJQZPTKGR-VXGBXAGGSA-N
  • molecular weight:
    • 298.374
  • Synonym(s):
    • 3-benzyl-3,6 -dithio-6-(hydroxymethyl)-DKP
    • 3-benzyl-3,6 -dithio-6-(hydroxymethyl)piperazine-2,5-dione
    • 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-diketopiperazine
    • 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-DKP
    • 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)piperazine-2,5-dione

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




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