Difference between revisions of "ENT-KAUR-16-EN-19-AL"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12646 CPD-12646] == * smiles: ** CCCCCC=CCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ENT-KAUR-16-EN-19-AL ENT-KAUR-16-EN-19-AL] == * smiles: ** C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C=O)CCC...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12646 CPD-12646] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ENT-KAUR-16-EN-19-AL ENT-KAUR-16-EN-19-AL] ==
 
* smiles:
 
* smiles:
−
** CCCCCC=CCC=CCCCCCCCCCC(=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-]
+
** C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C=O)CCCC(C)2[CH]3CC4))))
−
* inchi key:
+
−
** InChIKey=YCKYOUVXZZJCIU-YGYQDCEASA-J
+
 
* common name:
 
* common name:
−
** (11Z,14Z)-icosa-11,14-dienoyl-CoA
+
** ent-kaurenal
 +
* inchi key:
 +
** InChIKey=JCAVDWHQNFTFBW-XRNRSJMDSA-N
 
* molecular weight:
 
* molecular weight:
−
** 1053.99    
+
** 286.456    
 
* Synonym(s):
 
* Synonym(s):
−
** 20:2Δ11,14
+
** ent-kaur-16-en-19-al
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-16098]]
+
* [[RXN-7580]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-16097]]
+
* [[RXN-5242]]
 
== 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=49859712 49859712]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=443466 443466]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.391680.html 391680]
 +
* HMDB : HMDB36728
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76410 76410]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29609 29609]
−
{{#set: smiles=CCCCCC=CCC=CCCCCCCCCCC(=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-]}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=YCKYOUVXZZJCIU-YGYQDCEASA-J}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C11873 C11873]
−
{{#set: common name=(11Z,14Z)-icosa-11,14-dienoyl-CoA}}
+
{{#set: smiles=C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C=O)CCCC(C)2[CH]3CC4))))}}
−
{{#set: molecular weight=1053.99   }}
+
{{#set: common name=ent-kaurenal}}
−
{{#set: common name=20:2Δ11,14}}
+
{{#set: inchi key=InChIKey=JCAVDWHQNFTFBW-XRNRSJMDSA-N}}
−
{{#set: consumed by=RXN-16098}}
+
{{#set: molecular weight=286.456   }}
−
{{#set: produced by=RXN-16097}}
+
{{#set: common name=ent-kaur-16-en-19-al}}
 +
{{#set: consumed by=RXN-7580}}
 +
{{#set: produced by=RXN-5242}}

Latest revision as of 19:34, 21 March 2018

Metabolite ENT-KAUR-16-EN-19-AL

  • smiles:
    • C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C=O)CCCC(C)2[CH]3CC4))))
  • common name:
    • ent-kaurenal
  • inchi key:
    • InChIKey=JCAVDWHQNFTFBW-XRNRSJMDSA-N
  • molecular weight:
    • 286.456
  • Synonym(s):
    • ent-kaur-16-en-19-al

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C=O)CCCC(C)2[CH]3CC4))))" cannot be used as a page name in this wiki.




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