Difference between revisions of "1.1.1.274-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-1354 CPD1G-1354] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC2(C(O)C(O)C(O)C(OC1(...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CHOLESTEROL CHOLESTEROL] == * smiles: ** CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-1354 CPD1G-1354] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CHOLESTEROL CHOLESTEROL] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(CO)O1))O2))C(O)CCCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)
+
** CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
 
* inchi key:
 
* inchi key:
−
** InChIKey=ZHIKIEYTXXJMOG-UQWWGAJESA-N
+
** InChIKey=HVYWMOMLDIMFJA-DPAQBDIFSA-N
 
* common name:
 
* common name:
−
** trehalose-trans-keto-mono-mycolate
+
** cholesterol
 
* molecular weight:
 
* molecular weight:
−
** 1590.555    
+
** 386.66    
 
* Synonym(s):
 
* Synonym(s):
 +
** 5-cholestene-3β-ol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12693]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN1G-1439]]
+
* [[RXN66-323]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 57-88-5
 +
* DRUGBANK : DB04540
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658962 90658962]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5997 5997]
−
{{#set: smiles=CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(CO)O1))O2))C(O)CCCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)}}
+
* HMDB : HMDB00067
−
{{#set: inchi key=InChIKey=ZHIKIEYTXXJMOG-UQWWGAJESA-N}}
+
* LIGAND-CPD:
−
{{#set: common name=trehalose-trans-keto-mono-mycolate}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00187 C00187]
−
{{#set: molecular weight=1590.555   }}
+
* CHEMSPIDER:
−
{{#set: produced by=RXN1G-1439}}
+
** [http://www.chemspider.com/Chemical-Structure.5775.html 5775]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16113 16113]
 +
* METABOLIGHTS : MTBLC16113
 +
{{#set: smiles=CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
 +
{{#set: inchi key=InChIKey=HVYWMOMLDIMFJA-DPAQBDIFSA-N}}
 +
{{#set: common name=cholesterol}}
 +
{{#set: molecular weight=386.66   }}
 +
{{#set: common name=5-cholestene-3β-ol}}
 +
{{#set: consumed by=RXN-12693}}
 +
{{#set: produced by=RXN66-323}}

Revision as of 16:02, 10 January 2018

Metabolite CHOLESTEROL

  • smiles:
    • CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
  • inchi key:
    • InChIKey=HVYWMOMLDIMFJA-DPAQBDIFSA-N
  • common name:
    • cholesterol
  • molecular weight:
    • 386.66
  • Synonym(s):
    • 5-cholestene-3β-ol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 57-88-5
  • DRUGBANK : DB04540
  • PUBCHEM:
  • HMDB : HMDB00067
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC16113
"CC(C)CCCC(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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