Difference between revisions of "CPD-8892"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4184 CPD-4184] == * smiles: ** CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(O)...")
 
 
(2 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-4184 CPD-4184] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8892 CPD-8892] ==
 
* smiles:
 
* smiles:
** CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(O)CC3)))CC4)))C
+
** CCCCCC=CCC=CC=CC=C[CH]1(O[CH]1CCCC(=O)[O-])
 +
* molecular weight:
 +
** 317.447   
 
* inchi key:
 
* inchi key:
** InChIKey=SCEZIHJVTBQOLS-YIJYGBTNSA-N
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** InChIKey=UFPQIRYSPUYQHK-XWYPZHSRSA-M
 
* common name:
 
* common name:
** 4α-methyl-cholesta-8-enol
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** leukotriene A4
* molecular weight:
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** 400.687   
+
 
* Synonym(s):
 
* Synonym(s):
 +
** leukotriene A(4)
 +
** (7E,9E,11Z,14Z)-(5S,6S)-5,6-epoxyicosa-7,9,11,14-tetraenoate
 +
** LTA4
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13710]]
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* [[LEUKOTRIENE-A4-HYDROLASE-RXN]]
* [[RXN66-20]]
+
 
== 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:
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* METABOLIGHTS : MTBLC57463
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6452640 6452640]
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* CAS : 72059-45-1
 +
* HMDB : HMDB01337
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.20117934.html 20117934]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28432 28432]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57463 57463]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C05110 C05110]
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** [http://www.genome.jp/dbget-bin/www_bget?C00909 C00909]
{{#set: smiles=CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(O)CC3)))CC4)))C}}
+
* PUBCHEM:
{{#set: inchi key=InChIKey=SCEZIHJVTBQOLS-YIJYGBTNSA-N}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91819769 91819769]
{{#set: common name=4α-methyl-cholesta-8-enol}}
+
{{#set: smiles=CCCCCC=CCC=CC=CC=C[CH]1(O[CH]1CCCC(=O)[O-])}}
{{#set: molecular weight=400.687    }}
+
{{#set: molecular weight=317.447    }}
{{#set: consumed by=RXN-13710|RXN66-20}}
+
{{#set: inchi key=InChIKey=UFPQIRYSPUYQHK-XWYPZHSRSA-M}}
 +
{{#set: common name=leukotriene A4}}
 +
{{#set: common name=leukotriene A(4)|(7E,9E,11Z,14Z)-(5S,6S)-5,6-epoxyicosa-7,9,11,14-tetraenoate|LTA4}}
 +
{{#set: consumed by=LEUKOTRIENE-A4-HYDROLASE-RXN}}

Latest revision as of 17:51, 9 January 2019

Metabolite CPD-8892

  • smiles:
    • CCCCCC=CCC=CC=CC=C[CH]1(O[CH]1CCCC(=O)[O-])
  • molecular weight:
    • 317.447
  • inchi key:
    • InChIKey=UFPQIRYSPUYQHK-XWYPZHSRSA-M
  • common name:
    • leukotriene A4
  • Synonym(s):
    • leukotriene A(4)
    • (7E,9E,11Z,14Z)-(5S,6S)-5,6-epoxyicosa-7,9,11,14-tetraenoate
    • LTA4

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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