Difference between revisions of "CPD1G-1346"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12443 CPD-12443] == * common name: ** perillate * Synonym(s): ** perillic acid ** perillyl...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-1346 CPD1G-1346] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(...")
 
(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-12443 CPD-12443] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-1346 CPD1G-1346] ==
 +
* smiles:
 +
** CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))=O)C(O)CCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)
 
* common name:
 
* common name:
** perillate
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** trehalose-trans-methoxy-mono-mycolate
 +
* inchi key:
 +
** InChIKey=AMROMUFVHNPOEQ-BZZONOHYSA-N
 +
* molecular weight:
 +
** 1592.571   
 
* Synonym(s):
 
* Synonym(s):
** perillic acid
 
** perillyl carboxylate
 
** 4-(1-methylethenyl)-1-cyclohexene-1-carboxylic acid
 
** 4-isopropenylcyclohex-1-enecarboxylic acid
 
  
 
== 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 ==
 +
* [[RXN1G-1437]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-14280]]
 
 
== External links  ==
 
== External links  ==
{{#set: common name=perillate}}
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* PUBCHEM:
{{#set: common name=perillic acid|perillyl carboxylate|4-(1-methylethenyl)-1-cyclohexene-1-carboxylic acid|4-isopropenylcyclohex-1-enecarboxylic acid}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659103 90659103]
{{#set: reversible reaction associated=RXN-14280}}
+
{{#set: smiles=CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))=O)C(O)CCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)}}
 +
{{#set: common name=trehalose-trans-methoxy-mono-mycolate}}
 +
{{#set: inchi key=InChIKey=AMROMUFVHNPOEQ-BZZONOHYSA-N}}
 +
{{#set: molecular weight=1592.571    }}
 +
{{#set: produced by=RXN1G-1437}}

Latest revision as of 20:55, 21 March 2018

Metabolite CPD1G-1346

  • smiles:
    • CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))=O)C(O)CCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)
  • common name:
    • trehalose-trans-methoxy-mono-mycolate
  • inchi key:
    • InChIKey=AMROMUFVHNPOEQ-BZZONOHYSA-N
  • molecular weight:
    • 1592.571
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links