Difference between revisions of "CPD-637"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OH-HEXANOYL-COA OH-HEXANOYL-COA] == * smiles: ** CCCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-637 CPD-637] == * smiles: ** CC1(C(=C(C=CC=1)O)C([O-])=O) * common name: ** 6-methylsalicyl...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OH-HEXANOYL-COA OH-HEXANOYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-637 CPD-637] ==
 
* smiles:
 
* smiles:
−
** CCCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O
+
** CC1(C(=C(C=CC=1)O)C([O-])=O)
−
* inchi key:
+
−
** InChIKey=VAAHKRMGOFIORX-DWUFXMDISA-J
+
 
* common name:
 
* common name:
−
** (S)-3-hydroxyhexanoyl-CoA
+
** 6-methylsalicylate
 +
* inchi key:
 +
** InChIKey=HCJMNOSIAGSZBM-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
−
** 877.646    
+
** 151.141    
 
* Synonym(s):
 
* Synonym(s):
−
** OH-hexanoyl-CoA
+
** Methylsalicylic acid
−
** 3-OH-hexanoyl-CoA
+
** 6-Methyl 2-hydroxybenzenecarboxylate
  
 
== 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-12570]]
+
* [[2.3.1.165-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* METABOLIGHTS : MTBLC28276
 
−
* LIPID_MAPS : LMFA07050017
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=49859661 49859661]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54693536 54693536]
−
* HMDB : HMDB03942
+
* CHEMSPIDER:
−
* LIGAND-CPD:
+
** [http://www.chemspider.com/Chemical-Structure.5342108.html 5342108]
−
** [http://www.genome.jp/dbget-bin/www_bget?C05268 C05268]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28276 28276]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=36658 36658]
−
* BIGG : 3hhcoa
+
* LIGAND-CPD:
−
{{#set: smiles=CCCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C02657 C02657]
−
{{#set: inchi key=InChIKey=VAAHKRMGOFIORX-DWUFXMDISA-J}}
+
{{#set: smiles=CC1(C(=C(C=CC=1)O)C([O-])=O)}}
−
{{#set: common name=(S)-3-hydroxyhexanoyl-CoA}}
+
{{#set: common name=6-methylsalicylate}}
−
{{#set: molecular weight=877.646   }}
+
{{#set: inchi key=InChIKey=HCJMNOSIAGSZBM-UHFFFAOYSA-M}}
−
{{#set: common name=OH-hexanoyl-CoA|3-OH-hexanoyl-CoA}}
+
{{#set: molecular weight=151.141   }}
−
{{#set: produced by=RXN-12570}}
+
{{#set: common name=Methylsalicylic acid|6-Methyl 2-hydroxybenzenecarboxylate}}
 +
{{#set: produced by=2.3.1.165-RXN}}

Latest revision as of 20:12, 21 March 2018

Metabolite CPD-637

  • smiles:
    • CC1(C(=C(C=CC=1)O)C([O-])=O)
  • common name:
    • 6-methylsalicylate
  • inchi key:
    • InChIKey=HCJMNOSIAGSZBM-UHFFFAOYSA-M
  • molecular weight:
    • 151.141
  • Synonym(s):
    • Methylsalicylic acid
    • 6-Methyl 2-hydroxybenzenecarboxylate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC1(C(=C(C=CC=1)O)C([O-])=O)" cannot be used as a page name in this wiki.



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