Difference between revisions of "Ec-23 001790"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LEUKOTRIENE-C4 LEUKOTRIENE-C4] == * smiles: ** CCCCCC=CCC=CC=CC=CC(SCC(C(=O)NCC([O-])=O)NC(CCC(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-707 CPD-707] == * smiles: ** CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LEUKOTRIENE-C4 LEUKOTRIENE-C4] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-707 CPD-707] ==
 
* smiles:
 
* smiles:
−
** CCCCCC=CCC=CC=CC=CC(SCC(C(=O)NCC([O-])=O)NC(CCC(C(=O)[O-])[N+])=O)C(CCCC([O-])=O)O
+
** CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
 
* inchi key:
 
* inchi key:
−
** InChIKey=GWNVDXQDILPJIG-NXOLIXFESA-L
+
** InChIKey=SGNBVLSWZMBQTH-PODYLUTMSA-N
 
* common name:
 
* common name:
−
** leukotriene-C4
+
** campesterol
 
* molecular weight:
 
* molecular weight:
−
** 623.76    
+
** 400.687    
 
* Synonym(s):
 
* Synonym(s):
 +
** cholest 5-en-3-ol, 24-methyl
 +
** ergost-5-en-3β-ol, (24R)-
 +
** (24R)-24-methylcholest-5-en-3β-ol
 +
** 24(R)-methylcholesterol
 +
** campesterin
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN66-336]]
+
* [[RXN-4225]]
 
== 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  ==
−
* CAS : 72025-60-6
+
* LIPID_MAPS : LMST01030097
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245603 25245603]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=23424736 23424736]
−
* HMDB : HMDB01198
+
* HMDB : HMDB02869
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C02166 C02166]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01789 C01789]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.10469749.html 10469749]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57973 57973]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28623 28623]
−
* METABOLIGHTS : MTBLC57973
+
{{#set: smiles=CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
−
{{#set: smiles=CCCCCC=CCC=CC=CC=CC(SCC(C(=O)NCC([O-])=O)NC(CCC(C(=O)[O-])[N+])=O)C(CCCC([O-])=O)O}}
+
{{#set: inchi key=InChIKey=SGNBVLSWZMBQTH-PODYLUTMSA-N}}
−
{{#set: inchi key=InChIKey=GWNVDXQDILPJIG-NXOLIXFESA-L}}
+
{{#set: common name=campesterol}}
−
{{#set: common name=leukotriene-C4}}
+
{{#set: molecular weight=400.687   }}
−
{{#set: molecular weight=623.76   }}
+
{{#set: common name=cholest 5-en-3-ol, 24-methyl|ergost-5-en-3β-ol, (24R)-|(24R)-24-methylcholest-5-en-3β-ol|24(R)-methylcholesterol|campesterin}}
−
{{#set: consumed by=RXN66-336}}
+
{{#set: consumed by=RXN-4225}}

Revision as of 13:57, 21 March 2018

Metabolite CPD-707

  • smiles:
    • CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
  • inchi key:
    • InChIKey=SGNBVLSWZMBQTH-PODYLUTMSA-N
  • common name:
    • campesterol
  • molecular weight:
    • 400.687
  • Synonym(s):
    • cholest 5-en-3-ol, 24-methyl
    • ergost-5-en-3β-ol, (24R)-
    • (24R)-24-methylcholest-5-en-3β-ol
    • 24(R)-methylcholesterol
    • campesterin

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.



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