Difference between revisions of "CPD-10353"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1099 CPD-1099] == * smiles: ** C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-METHYL-BUTYRYL-COA 2-METHYL-BUTYRYL-COA] == * smiles: ** CCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1099 CPD-1099] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-METHYL-BUTYRYL-COA 2-METHYL-BUTYRYL-COA] ==
 
* smiles:
 
* smiles:
−
** C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)O)
+
** CCC(C)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-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
+
** InChIKey=LYNVNYDEQMMNMZ-XGXNYEOVSA-J
 
* common name:
 
* common name:
−
** raffinose
+
** 2-methylbutanoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 504.441    
+
** 847.62    
 
* Synonym(s):
 
* Synonym(s):
−
** melitose
+
** S-2-methyl-butyryl-CoA
−
** melitriose
+
** 2-methylbutyryl-CoA
−
** gossypose
+
** α-methylbutyryl-CoA
−
** 6G-α-D-galactosylsucrose
+
** α-methylbutanoyl-CoA
−
** (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
+
−
** α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf
+
−
** α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside
+
−
** D-raffinose
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-11501]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[2.4.1.67-RXN]]
+
* [[MBCOA-DHLIPOAMIDE-RXN]]
 +
* [[2KETO-3METHYLVALERATE-RXN]]
 +
* [[2-METHYLACYL-COA-DEHYDROGENASE-RXN]]
 
== External links  ==
 
== External links  ==
−
* CAS : 512-69-6
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439242 439242]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266569 45266569]
−
* KEGG-GLYCAN : G00249
+
−
* HMDB : HMDB03213
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00492 C00492]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.388379.html 388379]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16634 16634]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57336 57336]
−
* METABOLIGHTS : MTBLC16634
+
* LIGAND-CPD:
−
{{#set: smiles=C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)O)}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C01033 C01033]
−
{{#set: inchi key=InChIKey=MUPFEKGTMRGPLJ-ZQSKZDJDSA-N}}
+
* HMDB : HMDB01041
−
{{#set: common name=raffinose}}
+
{{#set: smiles=CCC(C)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-]}}
−
{{#set: molecular weight=504.441   }}
+
{{#set: inchi key=InChIKey=LYNVNYDEQMMNMZ-XGXNYEOVSA-J}}
−
{{#set: common name=melitose|melitriose|gossypose|6G-α-D-galactosylsucrose|(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf|α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside|D-raffinose}}
+
{{#set: common name=2-methylbutanoyl-CoA}}
−
{{#set: produced by=RXN-11501}}
+
{{#set: molecular weight=847.62   }}
−
{{#set: reversible reaction associated=2.4.1.67-RXN}}
+
{{#set: common name=S-2-methyl-butyryl-CoA|2-methylbutyryl-CoA|α-methylbutyryl-CoA|α-methylbutanoyl-CoA}}
 +
{{#set: reversible reaction associated=MBCOA-DHLIPOAMIDE-RXN|2KETO-3METHYLVALERATE-RXN|2-METHYLACYL-COA-DEHYDROGENASE-RXN}}

Revision as of 13:14, 21 March 2018

Metabolite 2-METHYL-BUTYRYL-COA

  • smiles:
    • CCC(C)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-]
  • inchi key:
    • InChIKey=LYNVNYDEQMMNMZ-XGXNYEOVSA-J
  • common name:
    • 2-methylbutanoyl-CoA
  • molecular weight:
    • 847.62
  • Synonym(s):
    • S-2-methyl-butyryl-CoA
    • 2-methylbutyryl-CoA
    • α-methylbutyryl-CoA
    • α-methylbutanoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC(C)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-" cannot be used as a page name in this wiki.



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