Difference between revisions of "Ec-20 002080"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13172 CPD-13172] == * smiles: ** C(=O)(C1(O)(C=CCCC(=O)1))[O-] * inchi key: ** InChIKey=WEZ...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ALPHA-METHYL-5-ALPHA-ERGOSTA ALPHA-METHYL-5-ALPHA-ERGOSTA] == * smiles: ** CC(C)C(=C)CCC(C)[CH]...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13172 CPD-13172] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ALPHA-METHYL-5-ALPHA-ERGOSTA ALPHA-METHYL-5-ALPHA-ERGOSTA] ==
 
* smiles:
 
* smiles:
−
** C(=O)(C1(O)(C=CCCC(=O)1))[O-]
+
** CC(C)C(=C)CCC(C)[CH]3(CC=C4(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))
 
* inchi key:
 
* inchi key:
−
** InChIKey=WEZWWZKUBQCMBL-UHFFFAOYSA-M
+
** InChIKey=HLAWVOWADPNAGN-BAHZUFOISA-N
 
* common name:
 
* common name:
−
** 6-hydroxy-2-cyclohexen-one-carboxylate
+
** 4α-methyl-5α-ergosta-8,14,24(28)-trien-3β-ol
 
* molecular weight:
 
* molecular weight:
−
** 155.13    
+
** 410.682    
 
* Synonym(s):
 
* Synonym(s):
−
** 6-hydroxy-2-cyclohexen-one-carboxylic acid
+
** 4α-methyl-5α-ergosta-8,14,24(241)-trien-3β-ol
−
** HCC
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-4144]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-12252]]
+
* [[1.14.13.70-RXN]]
 
== 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=52940166 52940166]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203414 25203414]
−
{{#set: smiles=C(=O)(C1(O)(C=CCCC(=O)1))[O-]}}
+
* CHEBI:
−
{{#set: inchi key=InChIKey=WEZWWZKUBQCMBL-UHFFFAOYSA-M}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30109 30109]
−
{{#set: common name=6-hydroxy-2-cyclohexen-one-carboxylate}}
+
* LIGAND-CPD:
−
{{#set: molecular weight=155.13   }}
+
** [http://www.genome.jp/dbget-bin/www_bget?C11508 C11508]
−
{{#set: common name=6-hydroxy-2-cyclohexen-one-carboxylic acid|HCC}}
+
* HMDB : HMDB06928
−
{{#set: produced by=RXN-12252}}
+
{{#set: smiles=CC(C)C(=C)CCC(C)[CH]3(CC=C4(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))}}
 +
{{#set: inchi key=InChIKey=HLAWVOWADPNAGN-BAHZUFOISA-N}}
 +
{{#set: common name=4α-methyl-5α-ergosta-8,14,24(28)-trien-3β-ol}}
 +
{{#set: molecular weight=410.682   }}
 +
{{#set: common name=4α-methyl-5α-ergosta-8,14,24(241)-trien-3β-ol}}
 +
{{#set: consumed by=RXN-4144}}
 +
{{#set: produced by=1.14.13.70-RXN}}

Revision as of 22:31, 17 March 2018

Metabolite ALPHA-METHYL-5-ALPHA-ERGOSTA

  • smiles:
    • CC(C)C(=C)CCC(C)[CH]3(CC=C4(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))
  • inchi key:
    • InChIKey=HLAWVOWADPNAGN-BAHZUFOISA-N
  • common name:
    • 4α-methyl-5α-ergosta-8,14,24(28)-trien-3β-ol
  • molecular weight:
    • 410.682
  • Synonym(s):
    • 4α-methyl-5α-ergosta-8,14,24(241)-trien-3β-ol

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=C4(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))" cannot be used as a page name in this wiki.




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