Difference between revisions of "CPD-10600"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-678 CPD-678] == * smiles: ** [SeH2] * inchi key: ** InChIKey=SPVXKVOXSXTJOY-UHFFFAOYSA-N *...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10600 CPD-10600] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(C=CC(O)=CC=1))COP...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-678 CPD-678] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10600 CPD-10600] ==
 
* smiles:
 
* smiles:
** [SeH2]
+
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(C=CC(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
 
* inchi key:
 
* inchi key:
** InChIKey=SPVXKVOXSXTJOY-UHFFFAOYSA-N
+
** InChIKey=OVQOJJJXNYHOPR-FUEUKBNZSA-J
 
* common name:
 
* common name:
** hydrogen selenide
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** 4-hydroxybenzoyl-acetyl-CoA
 
* molecular weight:
 
* molecular weight:
** 80.976    
+
** 925.647    
 
* Synonym(s):
 
* Synonym(s):
** dihydridoselenium
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** 3-(4-hydroxyphenyl)-3-oxo-propanoyl-CoA
** H2Se
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** 3-(4-hydroxyphenyl)-3-keto-propanoyl-CoA
** selane
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** 3-(4-hydroxyphenyl)-3-keto-propionyl-CoA
** dihydrogen selenide
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** 3-(4-hydroxyphenyl)-3-oxo-propionyl-CoA
** [SeH2]
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** p-hydroxybenzoyl-acetyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-12726]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-11245]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 7783-07-5
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=533 533]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25200630 25200630]
* HMDB : HMDB11110
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{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(C=CC(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
* LIGAND-CPD:
+
{{#set: inchi key=InChIKey=OVQOJJJXNYHOPR-FUEUKBNZSA-J}}
** [http://www.genome.jp/dbget-bin/www_bget?C01528 C01528]
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{{#set: common name=4-hydroxybenzoyl-acetyl-CoA}}
* CHEMSPIDER:
+
{{#set: molecular weight=925.647   }}
** [http://www.chemspider.com/Chemical-Structure.4885617.html 4885617]
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{{#set: common name=3-(4-hydroxyphenyl)-3-oxo-propanoyl-CoA|3-(4-hydroxyphenyl)-3-keto-propanoyl-CoA|3-(4-hydroxyphenyl)-3-keto-propionyl-CoA|3-(4-hydroxyphenyl)-3-oxo-propionyl-CoA|p-hydroxybenzoyl-acetyl-CoA}}
* CHEBI:
+
{{#set: produced by=RXN-11245}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16503 16503]
+
{{#set: smiles=[SeH2]}}
+
{{#set: inchi key=InChIKey=SPVXKVOXSXTJOY-UHFFFAOYSA-N}}
+
{{#set: common name=hydrogen selenide}}
+
{{#set: molecular weight=80.976   }}
+
{{#set: common name=dihydridoselenium|H2Se|selane|dihydrogen selenide|[SeH2]}}
+
{{#set: consumed by=RXN-12726}}
+

Latest revision as of 19:14, 21 March 2018

Metabolite CPD-10600

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(C=CC(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
  • inchi key:
    • InChIKey=OVQOJJJXNYHOPR-FUEUKBNZSA-J
  • common name:
    • 4-hydroxybenzoyl-acetyl-CoA
  • molecular weight:
    • 925.647
  • Synonym(s):
    • 3-(4-hydroxyphenyl)-3-oxo-propanoyl-CoA
    • 3-(4-hydroxyphenyl)-3-keto-propanoyl-CoA
    • 3-(4-hydroxyphenyl)-3-keto-propionyl-CoA
    • 3-(4-hydroxyphenyl)-3-oxo-propionyl-CoA
    • p-hydroxybenzoyl-acetyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(C=CC(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-" cannot be used as a page name in this wiki.