Difference between revisions of "D-METHYL-MALONYL-COA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=FERULIC-ACID FERULIC-ACID] == * smiles: ** COC1(=CC(C=CC([O-])=O)=CC=C(O)1) * inchi key: ** InC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=D-METHYL-MALONYL-COA D-METHYL-MALONYL-COA] == * smiles: ** CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=FERULIC-ACID FERULIC-ACID] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=D-METHYL-MALONYL-COA D-METHYL-MALONYL-COA] ==
 
* smiles:
 
* smiles:
−
** COC1(=CC(C=CC([O-])=O)=CC=C(O)1)
+
** CC(C(=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([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=KSEBMYQBYZTDHS-HWKANZROSA-M
+
** InChIKey=MZFOKIKEPGUZEN-IBNUZSNCSA-I
 
* common name:
 
* common name:
−
** ferulate
+
** (S)-methylmalonyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 193.179    
+
** 862.568    
 
* Synonym(s):
 
* Synonym(s):
−
** ferulic acid
+
** D-methylmalonyl-CoA
−
** 3-methoxy-4-hydroxycinnamic acid
+
** methyl-malonyl-coenzyme A
−
** caffeic acid 3-methyl ether
+
** CH3-malonyl-CoA
−
** 4-hydroxy-3-methoxycinnamic acid
+
** (2S)-methyl-malonyl-CoA
−
** 3-methoxy-4-hydroxy-trans-cinnamate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[6.2.1.34-RXN]]
 
−
* [[RXN-1121]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-1104]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[PROPIONYL-COA-CARBOXY-RXN]]
 
== External links  ==
 
== External links  ==
−
* CAS : 1135-24-6
+
* CAS : 104809-02-1
 +
* BIGG : 35689
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54691413 54691413]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266561 45266561]
−
* HMDB : HMDB00954
+
* HMDB : HMDB01269
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C01494 C01494]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00683 C00683]
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.4573888.html 4573888]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29749 29749]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57327 57327]
−
* METABOLIGHTS : MTBLC29749
+
* METABOLIGHTS : MTBLC57327
−
{{#set: smiles=COC1(=CC(C=CC([O-])=O)=CC=C(O)1)}}
+
{{#set: smiles=CC(C(=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([O-])=O}}
−
{{#set: inchi key=InChIKey=KSEBMYQBYZTDHS-HWKANZROSA-M}}
+
{{#set: inchi key=InChIKey=MZFOKIKEPGUZEN-IBNUZSNCSA-I}}
−
{{#set: common name=ferulate}}
+
{{#set: common name=(S)-methylmalonyl-CoA}}
−
{{#set: molecular weight=193.179   }}
+
{{#set: molecular weight=862.568   }}
−
{{#set: common name=ferulic acid|3-methoxy-4-hydroxycinnamic acid|caffeic acid 3-methyl ether|4-hydroxy-3-methoxycinnamic acid|3-methoxy-4-hydroxy-trans-cinnamate}}
+
{{#set: common name=D-methylmalonyl-CoA|methyl-malonyl-coenzyme A|CH3-malonyl-CoA|(2S)-methyl-malonyl-CoA}}
−
{{#set: consumed by=6.2.1.34-RXN|RXN-1121}}
+
{{#set: reversible reaction associated=PROPIONYL-COA-CARBOXY-RXN}}
−
{{#set: produced by=RXN-1104}}
+

Latest revision as of 19:16, 21 March 2018

Metabolite D-METHYL-MALONYL-COA

  • smiles:
    • CC(C(=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([O-])=O
  • inchi key:
    • InChIKey=MZFOKIKEPGUZEN-IBNUZSNCSA-I
  • common name:
    • (S)-methylmalonyl-CoA
  • molecular weight:
    • 862.568
  • Synonym(s):
    • D-methylmalonyl-CoA
    • methyl-malonyl-coenzyme A
    • CH3-malonyl-CoA
    • (2S)-methyl-malonyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 104809-02-1
  • BIGG : 35689
  • PUBCHEM:
  • HMDB : HMDB01269
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57327
"CC(C(=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([O-])=O" cannot be used as a page name in this wiki.



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