Difference between revisions of "Tiso gene 5087"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19162 CPD-19162] == * smiles: ** CCCCCCC=CCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-511 CPD-511] == * smiles: ** CC(C(O)C(=O)NCCC(NCCS)=O)(C)CO * inchi key: ** InChIKey=ZNXZGR...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19162 CPD-19162] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-511 CPD-511] ==
 
* smiles:
 
* smiles:
−
** CCCCCCC=CCCCCCC=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-]
+
** CC(C(O)C(=O)NCCC(NCCS)=O)(C)CO
 
* inchi key:
 
* inchi key:
−
** InChIKey=BEQWCBBSKHMRCA-HENMZMGOSA-J
+
** InChIKey=ZNXZGRMVNNHPCA-VIFPVBQESA-N
 
* common name:
 
* common name:
−
** (2E,9Z)-hexadecenoyl-CoA
+
** pantetheine
 
* molecular weight:
 
* molecular weight:
−
** 997.883    
+
** 278.366    
 
* Synonym(s):
 
* Synonym(s):
−
** 16:2-Δ2,Δ9-CoA
+
** pantotheine
−
** 2-trans,9-cis-hexadecenoyl-CoA
+
  
 
== 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 ==
−
* [[RXN-17788]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[PANTETHEINE-KINASE-RXN]]
 
== External links  ==
 
== External links  ==
−
{{#set: smiles=CCCCCCC=CCCCCCC=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-]}}
+
* CAS : 496-65-1
−
{{#set: inchi key=InChIKey=BEQWCBBSKHMRCA-HENMZMGOSA-J}}
+
* PUBCHEM:
−
{{#set: common name=(2E,9Z)-hexadecenoyl-CoA}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439322 439322]
−
{{#set: molecular weight=997.883   }}
+
* HMDB : HMDB03426
−
{{#set: common name=16:2-Δ2,Δ9-CoA|2-trans,9-cis-hexadecenoyl-CoA}}
+
* LIGAND-CPD:
−
{{#set: produced by=RXN-17788}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00831 C00831]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.388453.html 388453]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16753 16753]
 +
* METABOLIGHTS : MTBLC16753
 +
{{#set: smiles=CC(C(O)C(=O)NCCC(NCCS)=O)(C)CO}}
 +
{{#set: inchi key=InChIKey=ZNXZGRMVNNHPCA-VIFPVBQESA-N}}
 +
{{#set: common name=pantetheine}}
 +
{{#set: molecular weight=278.366   }}
 +
{{#set: common name=pantotheine}}
 +
{{#set: consumed or produced by=PANTETHEINE-KINASE-RXN}}

Revision as of 17:24, 10 January 2018

Metabolite CPD-511

  • smiles:
    • CC(C(O)C(=O)NCCC(NCCS)=O)(C)CO
  • inchi key:
    • InChIKey=ZNXZGRMVNNHPCA-VIFPVBQESA-N
  • common name:
    • pantetheine
  • molecular weight:
    • 278.366
  • Synonym(s):
    • pantotheine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 496-65-1
  • PUBCHEM:
  • HMDB : HMDB03426
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC16753




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