Difference between revisions of "CPD-13174"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13754 CPD-13754] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[...")
 
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13754 CPD-13754] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13174 CPD-13174] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
+
** C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O
 +
* molecular weight:
 +
** 262.262   
 
* inchi key:
 
* inchi key:
−
** InChIKey=IWNWMTZIJPUDPV-MDQHZGBLSA-J
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** InChIKey=WYYMYYOXCOEMCU-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA
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** salicyl-6-hydroxy-2-cyclohexene-on-oyl
−
* molecular weight:
+
−
** 983.77   
+
 
* Synonym(s):
 
* Synonym(s):
−
** HIP-CoA
+
** salicyl-HCH
 +
** 2-cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, (2-hydroxyphenyl)methyl ester
 +
** acylsaligenin
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12747]]
+
* [[RXN-12252]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=86289539 86289539]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=14731723 14731723]
−
* CHEBI:
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* CAS : 529507-98-0
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=78357 78357]
+
{{#set: smiles=C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O}}
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]}}
+
{{#set: molecular weight=262.262    }}
−
{{#set: inchi key=InChIKey=IWNWMTZIJPUDPV-MDQHZGBLSA-J}}
+
{{#set: inchi key=InChIKey=WYYMYYOXCOEMCU-UHFFFAOYSA-N}}
−
{{#set: common name=3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA}}
+
{{#set: common name=salicyl-6-hydroxy-2-cyclohexene-on-oyl}}
−
{{#set: molecular weight=983.77    }}
+
{{#set: common name=salicyl-HCH|2-cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, (2-hydroxyphenyl)methyl ester|acylsaligenin}}
−
{{#set: common name=HIP-CoA}}
+
{{#set: consumed by=RXN-12252}}
−
{{#set: consumed by=RXN-12747}}
+

Latest revision as of 18:00, 9 January 2019

Metabolite CPD-13174

  • smiles:
    • C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O
  • molecular weight:
    • 262.262
  • inchi key:
    • InChIKey=WYYMYYOXCOEMCU-UHFFFAOYSA-N
  • common name:
    • salicyl-6-hydroxy-2-cyclohexene-on-oyl
  • Synonym(s):
    • salicyl-HCH
    • 2-cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, (2-hydroxyphenyl)methyl ester
    • acylsaligenin

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=CPD-13174&oldid=23776"