Difference between revisions of "CPD-19488"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11523 CPD-11523] == * smiles: ** CCC=CCC4(C(=O)CCC(CCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19488 CPD-19488] == * smiles: ** CSCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-] * common name: ** 3-iso...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11523 CPD-11523] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19488 CPD-19488] ==
 
* smiles:
 
* smiles:
** CCC=CCC4(C(=O)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)4)
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** CSCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]
* inchi key:
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** InChIKey=OMDQVIUYDJAWHX-ZMWLRFEFSA-J
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* common name:
 
* common name:
** OPC6-3-hydroxyacyl-CoA
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** 3-isopropyl-9-(methylthio)-2-oxononanoate
 +
* inchi key:
 +
** InChIKey=PBYOKOGRHHZTHQ-UHFFFAOYSA-L
 
* molecular weight:
 
* molecular weight:
** 1027.866    
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** 260.304    
 
* Synonym(s):
 
* Synonym(s):
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-10702]]
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* [[RXN-18203]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-10704]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-18202]]
 
== External links  ==
 
== External links  ==
* PUBCHEM:
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{{#set: smiles=CSCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237226 44237226]
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{{#set: common name=3-isopropyl-9-(methylthio)-2-oxononanoate}}
{{#set: smiles=CCC=CCC4(C(=O)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)4)}}
+
{{#set: inchi key=InChIKey=PBYOKOGRHHZTHQ-UHFFFAOYSA-L}}
{{#set: inchi key=InChIKey=OMDQVIUYDJAWHX-ZMWLRFEFSA-J}}
+
{{#set: molecular weight=260.304   }}
{{#set: common name=OPC6-3-hydroxyacyl-CoA}}
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{{#set: consumed by=RXN-18203}}
{{#set: molecular weight=1027.866   }}
+
{{#set: reversible reaction associated=RXN-18202}}
{{#set: consumed by=RXN-10702}}
+
{{#set: produced by=RXN-10704}}
+

Latest revision as of 19:51, 21 March 2018

Metabolite CPD-19488

  • smiles:
    • CSCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]
  • common name:
    • 3-isopropyl-9-(methylthio)-2-oxononanoate
  • inchi key:
    • InChIKey=PBYOKOGRHHZTHQ-UHFFFAOYSA-L
  • molecular weight:
    • 260.304
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CSCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-" cannot be used as a page name in this wiki.