Difference between revisions of "EPOXYSQUALENE"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-690 CPD-690] == * smiles: ** CC5(=C%10(C(C)(CCC([O-])=O)C(CC(=O)[O-])C9(C%11(C)(C(C)(CC(N)=...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=EPOXYSQUALENE EPOXYSQUALENE] == * smiles: ** CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CC[CH]1(C(C...")
 
(3 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-690 CPD-690] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=EPOXYSQUALENE EPOXYSQUALENE] ==
 
* smiles:
 
* smiles:
−
** CC5(=C%10(C(C)(CCC([O-])=O)C(CC(=O)[O-])C9(C%11(C)(C(C)(CC(N)=O)C(CCC([O-])=O)C1(=[N+]([Co--]3([N+]2(C(=C(C)1)C(C)(CC(N)=O)C(CCC([O-])=O)C=2C=C4(C(C)(C)C(CCC([O-])=O)C(=[N+]34)5)))(CC6(C(C(O)C(O6)N7(C=NC8(=C7N=CN=C8N)))O))N9%10)%11)))))
+
** CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CC[CH]1(C(C)(C)O1)
−
* inchi key:
+
−
** InChIKey=OCNLJCZKGHKJGF-NQYRMHKHSA-H
+
 
* common name:
 
* common name:
−
** adenosyl-cobyrinate a,c-diamide
+
** (3S)-2,3-epoxy-2,3-dihydrosqualene
 +
* inchi key:
 +
** InChIKey=QYIMSPSDBYKPPY-RSKUXYSASA-N
 
* molecular weight:
 
* molecular weight:
−
** 1182.137    
+
** 426.724    
 
* Synonym(s):
 
* Synonym(s):
−
** adenosyl-cobyrinic acid a,c-diamide
+
** squalene 2,3-epoxide
−
** Adenosyl cobyrinate diamide
+
** squalene 2,3-oxide
−
** Adenosylcob(III)yrinic acid a,c-diamide
+
** (S)-squalene-2,3-epoxide
−
** Adenosylcobyrinic acid a,c-diamide
+
** 2,3-EDSQ
 +
** 2,3-epoxisqualene
 +
** oxidosqualene
 +
** 2,3-oxidosqualene
 +
** (3S)-2,3-epoxysqualene
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[CYCLOARTENOL-SYNTHASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[R344-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 9029-62-3
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91819815 91819815]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459811 5459811]
−
* CHEBI:
+
* HMDB : HMDB01188
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58503 58503]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C06506 C06506]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01054 C01054]
−
* HMDB : HMDB01083
+
* CHEMSPIDER:
−
{{#set: smiles=CC5(=C%10(C(C)(CCC([O-])=O)C(CC(=O)[O-])C9(C%11(C)(C(C)(CC(N)=O)C(CCC([O-])=O)C1(=[N+]([Co--]3([N+]2(C(=C(C)1)C(C)(CC(N)=O)C(CCC([O-])=O)C=2C=C4(C(C)(C)C(CCC([O-])=O)C(=[N+]34)5)))(CC6(C(C(O)C(O6)N7(C=NC8(=C7N=CN=C8N)))O))N9%10)%11)))))}}
+
** [http://www.chemspider.com/Chemical-Structure.4444080.html 4444080]
−
{{#set: inchi key=InChIKey=OCNLJCZKGHKJGF-NQYRMHKHSA-H}}
+
* CHEBI:
−
{{#set: common name=adenosyl-cobyrinate a,c-diamide}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15441 15441]
−
{{#set: molecular weight=1182.137   }}
+
* METABOLIGHTS : MTBLC15441
−
{{#set: common name=adenosyl-cobyrinic acid a,c-diamide|Adenosyl cobyrinate diamide|Adenosylcob(III)yrinic acid a,c-diamide|Adenosylcobyrinic acid a,c-diamide}}
+
{{#set: smiles=CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CC[CH]1(C(C)(C)O1)}}
−
{{#set: produced by=R344-RXN}}
+
{{#set: common name=(3S)-2,3-epoxy-2,3-dihydrosqualene}}
 +
{{#set: inchi key=InChIKey=QYIMSPSDBYKPPY-RSKUXYSASA-N}}
 +
{{#set: molecular weight=426.724   }}
 +
{{#set: common name=squalene 2,3-epoxide|squalene 2,3-oxide|(S)-squalene-2,3-epoxide|2,3-EDSQ|2,3-epoxisqualene|oxidosqualene|2,3-oxidosqualene|(3S)-2,3-epoxysqualene}}
 +
{{#set: consumed by=CYCLOARTENOL-SYNTHASE-RXN}}

Latest revision as of 19:30, 21 March 2018

Metabolite EPOXYSQUALENE

  • smiles:
    • CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CC[CH]1(C(C)(C)O1)
  • common name:
    • (3S)-2,3-epoxy-2,3-dihydrosqualene
  • inchi key:
    • InChIKey=QYIMSPSDBYKPPY-RSKUXYSASA-N
  • molecular weight:
    • 426.724
  • Synonym(s):
    • squalene 2,3-epoxide
    • squalene 2,3-oxide
    • (S)-squalene-2,3-epoxide
    • 2,3-EDSQ
    • 2,3-epoxisqualene
    • oxidosqualene
    • 2,3-oxidosqualene
    • (3S)-2,3-epoxysqualene

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 9029-62-3
  • PUBCHEM:
  • HMDB : HMDB01188
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC15441
"CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CC[CH]1(C(C)(C)O1)" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=EPOXYSQUALENE&oldid=42051"