Difference between revisions of "CPD-14018"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-METHYL-CROTONYL-COA 3-METHYL-CROTONYL-COA] == * smiles: ** CC(=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14018 CPD-14018] == * smiles: ** CCC=CCC=CCC=CCC=CCC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)C...")
 
(3 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-METHYL-CROTONYL-COA 3-METHYL-CROTONYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14018 CPD-14018] ==
 
* smiles:
 
* smiles:
−
** CC(=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-])C
+
** CCC=CCC=CCC=CCC=CCC=CCCCC(=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-]
−
* inchi key:
+
−
** InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J
+
 
* common name:
 
* common name:
−
** 3-methylcrotonyl-CoA
+
** icosapentaenoyl-CoA
 +
* inchi key:
 +
** InChIKey=JWZLRYCDDXHXDL-LCMHIRPZSA-J
 
* molecular weight:
 
* molecular weight:
−
** 845.604    
+
** 1047.943    
 
* Synonym(s):
 
* Synonym(s):
−
** β-methylcrotonoyl-CoA
+
** (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA
−
** 3-methylbut-2-enoyl-CoA
+
** (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA
 +
** (5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoyl-CoA
 +
** (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl-CoA
 +
** eicosapentaenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[METHYLCROTONYL-COA-CARBOXYLASE-RXN]]
+
* [[RXN-13442]]
 +
* [[RXN-13430]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN0-2301]]
+
* [[RXN-12978]]
−
* [[RXN-11921]]
+
−
* [[IVCDH]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-14264]]
 
 
== External links  ==
 
== External links  ==
−
* LIGAND-CPD:
 
−
** [http://www.genome.jp/dbget-bin/www_bget?C03069 C03069]
 
−
* CHEBI:
 
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57344 57344]
 
−
* METABOLIGHTS : MTBLC57344
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266575 45266575]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71581014 71581014]
−
* HMDB : HMDB01493
+
* CHEBI:
−
{{#set: smiles=CC(=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-])C}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=73862 73862]
−
{{#set: inchi key=InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J}}
+
{{#set: smiles=CCC=CCC=CCC=CCC=CCC=CCCCC(=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: common name=3-methylcrotonyl-CoA}}
+
{{#set: common name=icosapentaenoyl-CoA}}
−
{{#set: molecular weight=845.604   }}
+
{{#set: inchi key=InChIKey=JWZLRYCDDXHXDL-LCMHIRPZSA-J}}
−
{{#set: common name=β-methylcrotonoyl-CoA|3-methylbut-2-enoyl-CoA}}
+
{{#set: molecular weight=1047.943   }}
−
{{#set: consumed by=METHYLCROTONYL-COA-CARBOXYLASE-RXN}}
+
{{#set: common name=(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA|(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA|(5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoyl-CoA|(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl-CoA|eicosapentaenoyl-CoA}}
−
{{#set: produced by=RXN0-2301|RXN-11921|IVCDH}}
+
{{#set: consumed by=RXN-13442|RXN-13430}}
−
{{#set: consumed or produced by=RXN-14264}}
+
{{#set: produced by=RXN-12978}}

Latest revision as of 20:54, 21 March 2018

Metabolite CPD-14018

  • smiles:
    • CCC=CCC=CCC=CCC=CCC=CCCCC(=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-]
  • common name:
    • icosapentaenoyl-CoA
  • inchi key:
    • InChIKey=JWZLRYCDDXHXDL-LCMHIRPZSA-J
  • molecular weight:
    • 1047.943
  • Synonym(s):
    • (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA
    • (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA
    • (5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoyl-CoA
    • (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl-CoA
    • eicosapentaenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCC=CCC=CCC=CCC=CCCCC(=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-" cannot be used as a page name in this wiki.




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