Difference between revisions of "TREHALOSEPHOSPHA-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13695 CPD-13695] == * smiles: ** CC(CCC(=O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7037 CPD-7037] == * smiles: ** CSCCCO * inchi key: ** InChIKey=CZUGFKJYCPYHHV-UHFFFAOYSA-N...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13695 CPD-13695] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7037 CPD-7037] ==
 
* smiles:
 
* smiles:
−
** CC(CCC(=O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))
+
** CSCCCO
 
* inchi key:
 
* inchi key:
−
** InChIKey=ZVFUUGBGZMBUAN-KZNRQMKSSA-J
+
** InChIKey=CZUGFKJYCPYHHV-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** 3,24-dioxocholest-4-en-26-oyl-CoA
+
** methionol
 
* molecular weight:
 
* molecular weight:
−
** 1174.098    
+
** 106.182    
 
* Synonym(s):
 
* Synonym(s):
−
** cholest-4-en--3,24,dione-26-oyl-CoA
+
** methylmercaptopropanol
 +
** 3-methylthiopropanol
 +
** 3-methylmercapto-1-propanol
 +
** 3-hydroxypropyl methyl sulfide
 +
** γ-methylmercaptopropyl alcohol
 +
** 3-methylsulfanyl-1-propanol
  
 
== 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 ==
−
* [[RXN-12705]]
+
* [[RXN-7706]]
 
== 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=102515485 102515485]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10448 10448]
−
{{#set: smiles=CC(CCC(=O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))}}
+
* CHEMSPIDER:
−
{{#set: inchi key=InChIKey=ZVFUUGBGZMBUAN-KZNRQMKSSA-J}}
+
** [http://www.chemspider.com/Chemical-Structure.10016.html 10016]
−
{{#set: common name=3,24-dioxocholest-4-en-26-oyl-CoA}}
+
* CHEBI:
−
{{#set: molecular weight=1174.098   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=49019 49019]
−
{{#set: common name=cholest-4-en--3,24,dione-26-oyl-CoA}}
+
* METABOLIGHTS : MTBLC49019
−
{{#set: produced by=RXN-12705}}
+
* HMDB : HMDB31716
 +
{{#set: smiles=CSCCCO}}
 +
{{#set: inchi key=InChIKey=CZUGFKJYCPYHHV-UHFFFAOYSA-N}}
 +
{{#set: common name=methionol}}
 +
{{#set: molecular weight=106.182   }}
 +
{{#set: common name=methylmercaptopropanol|3-methylthiopropanol|3-methylmercapto-1-propanol|3-hydroxypropyl methyl sulfide|γ-methylmercaptopropyl alcohol|3-methylsulfanyl-1-propanol}}
 +
{{#set: produced by=RXN-7706}}

Revision as of 19:49, 18 March 2018

Metabolite CPD-7037

  • smiles:
    • CSCCCO
  • inchi key:
    • InChIKey=CZUGFKJYCPYHHV-UHFFFAOYSA-N
  • common name:
    • methionol
  • molecular weight:
    • 106.182
  • Synonym(s):
    • methylmercaptopropanol
    • 3-methylthiopropanol
    • 3-methylmercapto-1-propanol
    • 3-hydroxypropyl methyl sulfide
    • γ-methylmercaptopropyl alcohol
    • 3-methylsulfanyl-1-propanol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC49019
  • HMDB : HMDB31716




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