Difference between revisions of "CPD1G-1344"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLETIN SCOPOLETIN] == * smiles: ** COC2(C=C1(C(OC(=O)C=C1)=CC=2O)) * inchi key: ** InChIKey...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-1344 CPD1G-1344] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCC2(CC(CCC...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLETIN SCOPOLETIN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-1344 CPD1G-1344] ==
 
* smiles:
 
* smiles:
** COC2(C=C1(C(OC(=O)C=C1)=CC=2O))
+
** CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCC1(CC(CCCCCCCCCCCCCCCCCC)1))2))C(=O)OCC3(OC(C(C(C3O)O)O)OC4(C(C(C(C(O4)CO)O)O)O))
 
* inchi key:
 
* inchi key:
** InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N
+
** InChIKey=HASPJLRXBAGTID-BGZCIIMLSA-N
 
* common name:
 
* common name:
** scopoletin
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** trehalose-mono-mycolate
 
* molecular weight:
 
* molecular weight:
** 192.171    
+
** 1462.341    
 
* Synonym(s):
 
* Synonym(s):
 +
** trehalose 6-monomycolate
 +
** α, α'-trehalose 6-mycolate
  
 
== 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-14179]]
+
* [[RXN1G-1435]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* NCI:
+
* LIPID_MAPS : LMFA01160001
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=405647 405647]
+
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280460 5280460]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658750 90658750]
* HMDB : HMDB34344
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C01752 C01752]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4444113.html 4444113]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17488 17488]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18234 18234]
* METABOLIGHTS : MTBLC17488
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* LIGAND-CPD:
{{#set: smiles=COC2(C=C1(C(OC(=O)C=C1)=CC=2O))}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C04218 C04218]
{{#set: inchi key=InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N}}
+
{{#set: smiles=CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCC1(CC(CCCCCCCCCCCCCCCCCC)1))2))C(=O)OCC3(OC(C(C(C3O)O)O)OC4(C(C(C(C(O4)CO)O)O)O))}}
{{#set: common name=scopoletin}}
+
{{#set: inchi key=InChIKey=HASPJLRXBAGTID-BGZCIIMLSA-N}}
{{#set: molecular weight=192.171   }}
+
{{#set: common name=trehalose-mono-mycolate}}
{{#set: produced by=RXN-14179}}
+
{{#set: molecular weight=1462.341   }}
 +
{{#set: common name=trehalose 6-monomycolate|α, α'-trehalose 6-mycolate}}
 +
{{#set: produced by=RXN1G-1435}}

Latest revision as of 19:37, 21 March 2018

Metabolite CPD1G-1344

  • smiles:
    • CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCC1(CC(CCCCCCCCCCCCCCCCCC)1))2))C(=O)OCC3(OC(C(C(C3O)O)O)OC4(C(C(C(C(O4)CO)O)O)O))
  • inchi key:
    • InChIKey=HASPJLRXBAGTID-BGZCIIMLSA-N
  • common name:
    • trehalose-mono-mycolate
  • molecular weight:
    • 1462.341
  • Synonym(s):
    • trehalose 6-monomycolate
    • α, α'-trehalose 6-mycolate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links