Difference between revisions of "ALPHA-METHYL-5-ALPHA-ERGOSTA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17049 CPD-17049] == * smiles: ** C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2) * inchi key:...")
(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-17049 CPD-17049] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ALPHA-METHYL-5-ALPHA-ERGOSTA ALPHA-METHYL-5-ALPHA-ERGOSTA] ==
 
* smiles:
 
* smiles:
−
** C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2)
+
** 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=VZGSJJJQZPTKGR-VXGBXAGGSA-N
+
** InChIKey=HLAWVOWADPNAGN-BAHZUFOISA-N
 
* common name:
 
* common name:
−
** 3-benzyl-3,6 -dithio-6-(hydroxymethyl)-diketopiperazine
+
** 4α-methyl-5α-ergosta-8,14,24(28)-trien-3β-ol
 
* molecular weight:
 
* molecular weight:
−
** 298.374    
+
** 410.682    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-benzyl-3,6 -dithio-6-(hydroxymethyl)-DKP
+
** 4α-methyl-5α-ergosta-8,14,24(241)-trien-3β-ol
−
** 3-benzyl-3,6 -dithio-6-(hydroxymethyl)piperazine-2,5-dione
+
−
** 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-diketopiperazine
+
−
** 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-DKP
+
−
** 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)piperazine-2,5-dione
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-15684]]
+
* [[RXN-4144]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[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=90658023 90658023]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203414 25203414]
−
{{#set: smiles=C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2)}}
+
* CHEBI:
−
{{#set: inchi key=InChIKey=VZGSJJJQZPTKGR-VXGBXAGGSA-N}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30109 30109]
−
{{#set: common name=3-benzyl-3,6 -dithio-6-(hydroxymethyl)-diketopiperazine}}
+
* LIGAND-CPD:
−
{{#set: molecular weight=298.374   }}
+
** [http://www.genome.jp/dbget-bin/www_bget?C11508 C11508]
−
{{#set: common name=3-benzyl-3,6 -dithio-6-(hydroxymethyl)-DKP|3-benzyl-3,6 -dithio-6-(hydroxymethyl)piperazine-2,5-dione|3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-diketopiperazine|3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-DKP|3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)piperazine-2,5-dione}}
+
* HMDB : HMDB06928
−
{{#set: consumed by=RXN-15684}}
+
{{#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}}

Latest revision as of 19:38, 21 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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