Difference between revisions of "CHC T00002545001 1"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-HYDROXYMETHYLGLUTATHIONE S-HYDROXYMETHYLGLUTATHIONE] == * smiles: ** C(NC(=O)C(CSCO)NC(=O)CCC...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8620 CPD-8620] == * smiles: ** CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)CC(=O)CC...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-HYDROXYMETHYLGLUTATHIONE S-HYDROXYMETHYLGLUTATHIONE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8620 CPD-8620] ==
 
* smiles:
 
* smiles:
−
** C(NC(=O)C(CSCO)NC(=O)CCC([N+])C(=O)[O-])C(=O)[O-]
+
** CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)CC(=O)CC3)))CC4)))C
 
* inchi key:
 
* inchi key:
−
** InChIKey=PIUSLWSYOYFRFR-BQBZGAKWSA-M
+
** InChIKey=RZSXSHNNQBIPTL-ZSBATXSLSA-N
 
* common name:
 
* common name:
−
** S-(hydroxymethyl)glutathione
+
** 5α-cholesta-8-en-3-one
 
* molecular weight:
 
* molecular weight:
−
** 336.339    
+
** 384.644    
 
* Synonym(s):
 
* Synonym(s):
−
** HMGSH
 
−
** HM-GSH
 
−
** GS-CH2-OH
 
−
** (hydroxymethyl)glutathione
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN66-23]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN0-276]]
 
 
== External links  ==
 
== External links  ==
−
* BIGG : hmgth
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244017 25244017]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44263324 44263324]
−
* HMDB : HMDB04662
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C14180 C14180]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58758 58758]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=87056 87056]
−
* METABOLIGHTS : MTBLC58758
+
* HMDB : HMDB12178
−
{{#set: smiles=C(NC(=O)C(CSCO)NC(=O)CCC([N+])C(=O)[O-])C(=O)[O-]}}
+
{{#set: smiles=CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)CC(=O)CC3)))CC4)))C}}
−
{{#set: inchi key=InChIKey=PIUSLWSYOYFRFR-BQBZGAKWSA-M}}
+
{{#set: inchi key=InChIKey=RZSXSHNNQBIPTL-ZSBATXSLSA-N}}
−
{{#set: common name=S-(hydroxymethyl)glutathione}}
+
{{#set: common name=5α-cholesta-8-en-3-one}}
−
{{#set: molecular weight=336.339   }}
+
{{#set: molecular weight=384.644   }}
−
{{#set: common name=HMGSH|HM-GSH|GS-CH2-OH|(hydroxymethyl)glutathione}}
+
{{#set: produced by=RXN66-23}}
−
{{#set: consumed or produced by=RXN0-276}}
+

Revision as of 12:33, 18 January 2018

Metabolite CPD-8620

  • smiles:
    • CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)CC(=O)CC3)))CC4)))C
  • inchi key:
    • InChIKey=RZSXSHNNQBIPTL-ZSBATXSLSA-N
  • common name:
    • 5α-cholesta-8-en-3-one
  • molecular weight:
    • 384.644
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)CC(=O)CC3)))CC4)))C" cannot be used as a page name in this wiki.



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