Difference between revisions of "CPD-17367"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=METHYL-GLYOXAL METHYL-GLYOXAL] == * smiles: ** CC([CH]=O)=O * inchi key: ** InChIKey=AIJULSRZWU...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17367 CPD-17367] == * smiles: ** CCCCCC=CCC=CCC=CCC=CCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=METHYL-GLYOXAL METHYL-GLYOXAL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17367 CPD-17367] ==
 
* smiles:
 
* smiles:
** CC([CH]=O)=O
+
** CCCCCC=CCC=CCC=CCC=CCCCC(O)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-]
* inchi key:
+
** InChIKey=AIJULSRZWUXGPQ-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
** methylglyoxal
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** (3R)-hydroxy-adrenoyl-CoA
 +
* inchi key:
 +
** InChIKey=JHXLRLHTJYMVBK-DHDHVEHBSA-J
 
* molecular weight:
 
* molecular weight:
** 72.063    
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** 1094.012    
 
* Synonym(s):
 
* Synonym(s):
** 2-oxopropanal
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** (3R)-hydroxy-(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl-CoA
** acetylformaldehyde
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** (3R)--hydroxy-(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA
** pyruvic aldehyde
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** pyruvaldehyde
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[GLYOXIII-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[AMACETOXID-RXN]]
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* [[RXN-16112]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[D-LACTALDEHYDE-DEHYDROGENASE-RXN]]
 
* [[GLYOXI-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 78-98-8
 
* METABOLIGHTS : MTBLC17158
 
* DRUGBANK : DB03587
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=880 880]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193769 72193769]
* HMDB : HMDB01167
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00546 C00546]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.857.html 857]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17158 17158]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76415 76415]
* BIGG : mthgxl
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{{#set: smiles=CCCCCC=CCC=CCC=CCC=CCCCC(O)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-]}}
{{#set: smiles=CC([CH]=O)=O}}
+
{{#set: common name=(3R)-hydroxy-adrenoyl-CoA}}
{{#set: inchi key=InChIKey=AIJULSRZWUXGPQ-UHFFFAOYSA-N}}
+
{{#set: inchi key=InChIKey=JHXLRLHTJYMVBK-DHDHVEHBSA-J}}
{{#set: common name=methylglyoxal}}
+
{{#set: molecular weight=1094.012   }}
{{#set: molecular weight=72.063   }}
+
{{#set: common name=(3R)-hydroxy-(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl-CoA|(3R)--hydroxy-(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA}}
{{#set: common name=2-oxopropanal|acetylformaldehyde|pyruvic aldehyde|pyruvaldehyde}}
+
{{#set: produced by=RXN-16112}}
{{#set: consumed by=GLYOXIII-RXN}}
+
{{#set: produced by=AMACETOXID-RXN}}
+
{{#set: consumed or produced by=D-LACTALDEHYDE-DEHYDROGENASE-RXN|GLYOXI-RXN}}
+

Latest revision as of 20:10, 21 March 2018

Metabolite CPD-17367

  • smiles:
    • CCCCCC=CCC=CCC=CCC=CCCCC(O)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-]
  • common name:
    • (3R)-hydroxy-adrenoyl-CoA
  • inchi key:
    • InChIKey=JHXLRLHTJYMVBK-DHDHVEHBSA-J
  • molecular weight:
    • 1094.012
  • Synonym(s):
    • (3R)-hydroxy-(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl-CoA
    • (3R)--hydroxy-(7Z,10Z,13Z,16Z)-docosatetraenoyl-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=CCCCC(O)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-" cannot be used as a page name in this wiki.