Difference between revisions of "RXN-7979"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3061 CPD-3061] == * smiles: ** C1(C=C(C=CC=1C3(OC2(=CC(=CC=C2C(C3)=O)O)))O) * inchi key: **...")
(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(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3061 CPD-3061] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-1354 CPD1G-1354] ==
 
* smiles:
 
* smiles:
** C1(C=C(C=CC=1C3(OC2(=CC(=CC=C2C(C3)=O)O)))O)
+
** 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)
* inchi key:
+
** InChIKey=FURUXTVZLHCCNA-AWEZNQCLSA-N
+
 
* common name:
 
* common name:
** (2S)-liquiritigenin
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** trehalose-trans-keto-mono-mycolate
 +
* inchi key:
 +
** InChIKey=ZHIKIEYTXXJMOG-UQWWGAJESA-N
 
* molecular weight:
 
* molecular weight:
** 256.257    
+
** 1590.555    
 
* Synonym(s):
 
* Synonym(s):
** 4',7-dihydroxyflavanone
 
  
 
== 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-3221]]
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* [[RXN1G-1439]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* DRUGBANK : DB03601
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=114829 114829]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658962 90658962]
* HMDB : HMDB29519
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{{#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)}}
* LIGAND-CPD:
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{{#set: common name=trehalose-trans-keto-mono-mycolate}}
** [http://www.genome.jp/dbget-bin/www_bget?C09762 C09762]
+
{{#set: inchi key=InChIKey=ZHIKIEYTXXJMOG-UQWWGAJESA-N}}
* CHEMSPIDER:
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{{#set: molecular weight=1590.555   }}
** [http://www.chemspider.com/Chemical-Structure.102790.html 102790]
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{{#set: produced by=RXN1G-1439}}
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28777 28777]
+
* METABOLIGHTS : MTBLC28777
+
{{#set: smiles=C1(C=C(C=CC=1C3(OC2(=CC(=CC=C2C(C3)=O)O)))O)}}
+
{{#set: inchi key=InChIKey=FURUXTVZLHCCNA-AWEZNQCLSA-N}}
+
{{#set: common name=(2S)-liquiritigenin}}
+
{{#set: molecular weight=256.257   }}
+
{{#set: common name=4',7-dihydroxyflavanone}}
+
{{#set: produced by=RXN-3221}}
+

Revision as of 14:59, 21 March 2018

Metabolite CPD1G-1354

  • 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)
  • common name:
    • trehalose-trans-keto-mono-mycolate
  • inchi key:
    • InChIKey=ZHIKIEYTXXJMOG-UQWWGAJESA-N
  • molecular weight:
    • 1590.555
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links