Difference between revisions of "CH3-MALONATE-S-ALD"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12902 CPD-12902] == * smiles: ** CC(C)=CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CH3-MALONATE-S-ALD CH3-MALONATE-S-ALD] == * smiles: ** CC([CH]=O)C(=O)[O-] * inchi key: ** InCh...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12902 CPD-12902] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CH3-MALONATE-S-ALD CH3-MALONATE-S-ALD] ==
 
* smiles:
 
* smiles:
−
** CC(C)=CCCC(=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-]
+
** CC([CH]=O)C(=O)[O-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=BEYYLHUMFMWPLH-SVHODSNWSA-J
+
** InChIKey=VOKUMXABRRXHAR-VKHMYHEASA-M
 
* common name:
 
* common name:
−
** 5-methylhex-4-enoyl-CoA
+
** (S)-methylmalonate-semialdehyde
 
* molecular weight:
 
* molecular weight:
−
** 873.658    
+
** 101.082    
 
* Synonym(s):
 
* Synonym(s):
 +
** (S)-2-methyl-3-oxopropanoate
 +
** (S)-ch3-malonate-semialdehyde
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-11213]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-11917]]
+
* [[3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[2.6.1.22-RXN]]
 +
* [[RXN-14056]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 6236-08-4
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=50986179 50986179]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173457 46173457]
 +
* HMDB : HMDB02217
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C16470 C16470]
+
** [http://www.genome.jp/dbget-bin/www_bget?C06002 C06002]
−
{{#set: smiles=CC(C)=CCCC(=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-]}}
+
* CHEBI:
−
{{#set: inchi key=InChIKey=BEYYLHUMFMWPLH-SVHODSNWSA-J}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62413 62413]
−
{{#set: common name=5-methylhex-4-enoyl-CoA}}
+
* METABOLIGHTS : MTBLC62413
−
{{#set: molecular weight=873.658   }}
+
{{#set: smiles=CC([CH]=O)C(=O)[O-]}}
−
{{#set: produced by=RXN-11917}}
+
{{#set: inchi key=InChIKey=VOKUMXABRRXHAR-VKHMYHEASA-M}}
 +
{{#set: common name=(S)-methylmalonate-semialdehyde}}
 +
{{#set: molecular weight=101.082   }}
 +
{{#set: common name=(S)-2-methyl-3-oxopropanoate|(S)-ch3-malonate-semialdehyde}}
 +
{{#set: consumed by=RXN-11213}}
 +
{{#set: produced by=3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN}}
 +
{{#set: reversible reaction associated=2.6.1.22-RXN|RXN-14056}}

Latest revision as of 21:00, 21 March 2018

Metabolite CH3-MALONATE-S-ALD

  • smiles:
    • CC([CH]=O)C(=O)[O-]
  • inchi key:
    • InChIKey=VOKUMXABRRXHAR-VKHMYHEASA-M
  • common name:
    • (S)-methylmalonate-semialdehyde
  • molecular weight:
    • 101.082
  • Synonym(s):
    • (S)-2-methyl-3-oxopropanoate
    • (S)-ch3-malonate-semialdehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 6236-08-4
  • PUBCHEM:
  • HMDB : HMDB02217
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC62413
"CC([CH]=O)C(=O)[O-" cannot be used as a page name in this wiki.




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