Difference between revisions of "3-KETO-ADIPATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-37 CPDQT-37] == * smiles: ** CSCCCCC(C(O)C(=O)[O-])C(=O)[O-] * inchi key: ** InChIKey=ZIZ...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18494 CPD-18494] == * smiles: ** CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-37 CPDQT-37] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18494 CPD-18494] ==
 
* smiles:
 
* smiles:
** CSCCCCC(C(O)C(=O)[O-])C(=O)[O-]
+
** CCCCCC=CCC=CCC=CCC=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
* inchi key:
+
** InChIKey=ZIZLDVKLMYVMNX-UHFFFAOYSA-L
+
 
* common name:
 
* common name:
** 3-(4'-methylthio)butylmalate
+
** 3-oxo-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
 +
* inchi key:
 +
** InChIKey=UIAGUJIMVQPSDP-QOJZHLSOSA-J
 
* molecular weight:
 
* molecular weight:
** 234.267    
+
** 1118.034    
 
* Synonym(s):
 
* Synonym(s):
** 3-(4'-methylthio)butylmalic acid
+
** 3-oxo-(6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXNQT-4168]]
+
* [[RXN-17116]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-17115]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-18206]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237164 44237164]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193740 72193740]
{{#set: smiles=CSCCCCC(C(O)C(=O)[O-])C(=O)[O-]}}
+
* CHEBI:
{{#set: inchi key=InChIKey=ZIZLDVKLMYVMNX-UHFFFAOYSA-L}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76367 76367]
{{#set: common name=3-(4'-methylthio)butylmalate}}
+
{{#set: smiles=CCCCCC=CCC=CCC=CCC=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}}
{{#set: molecular weight=234.267   }}
+
{{#set: common name=3-oxo-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA}}
{{#set: common name=3-(4'-methylthio)butylmalic acid}}
+
{{#set: inchi key=InChIKey=UIAGUJIMVQPSDP-QOJZHLSOSA-J}}
{{#set: consumed by=RXNQT-4168}}
+
{{#set: molecular weight=1118.034   }}
{{#set: reversible reaction associated=RXN-18206}}
+
{{#set: common name=3-oxo-(6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoyl-CoA}}
 +
{{#set: consumed by=RXN-17116}}
 +
{{#set: produced by=RXN-17115}}

Revision as of 16:57, 21 March 2018

Metabolite CPD-18494

  • smiles:
    • CCCCCC=CCC=CCC=CCC=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
  • common name:
    • 3-oxo-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
  • inchi key:
    • InChIKey=UIAGUJIMVQPSDP-QOJZHLSOSA-J
  • molecular weight:
    • 1118.034
  • Synonym(s):
    • 3-oxo-(6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCC=CCC=CCC=CCC=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" cannot be used as a page name in this wiki.