Difference between revisions of "RXN-115"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOPIMELOYL-COA 3-OXOPIMELOYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCCC([O-])...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-768 CPD1G-768] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCC2(CC(CCCCC...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOPIMELOYL-COA 3-OXOPIMELOYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-768 CPD1G-768] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCCC([O-])=O)=O)=O)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-]
+
** 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)COP([O-])(=O)[O-])O)O)O))
 
* inchi key:
 
* inchi key:
−
** InChIKey=KJXFOFKTZDJLMQ-UYRKPTJQSA-I
+
** InChIKey=GXOBNDAJNVBERI-BGZCIIMLSA-L
 
* common name:
 
* common name:
−
** 3-oxopimeloyl-CoA
+
** 6-O-α-mycolyl-trehalose 6-phosphate
 
* molecular weight:
 
* molecular weight:
−
** 918.632    
+
** 1540.305    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-oxopimelyl-CoA
 
−
** 3-ketopimeloyl-CoA
 
−
** 3-ketopimelyl-CoA
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN1G-1435]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-8032]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266579 45266579]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659176 90659176]
−
* CHEBI:
+
{{#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)COP([O-])(=O)[O-])O)O)O))}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57350 57350]
+
{{#set: inchi key=InChIKey=GXOBNDAJNVBERI-BGZCIIMLSA-L}}
−
* LIGAND-CPD:
+
{{#set: common name=6-O-α-mycolyl-trehalose 6-phosphate}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C06715 C06715]
+
{{#set: molecular weight=1540.305   }}
−
* HMDB : HMDB12158
+
{{#set: consumed by=RXN1G-1435}}
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCCC([O-])=O)=O)=O)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-]}}
+
−
{{#set: inchi key=InChIKey=KJXFOFKTZDJLMQ-UYRKPTJQSA-I}}
+
−
{{#set: common name=3-oxopimeloyl-CoA}}
+
−
{{#set: molecular weight=918.632   }}
+
−
{{#set: common name=3-oxopimelyl-CoA|3-ketopimeloyl-CoA|3-ketopimelyl-CoA}}
+
−
{{#set: consumed or produced by=RXN-8032}}
+

Revision as of 18:49, 18 March 2018

Metabolite CPD1G-768

  • 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)COP([O-])(=O)[O-])O)O)O))
  • inchi key:
    • InChIKey=GXOBNDAJNVBERI-BGZCIIMLSA-L
  • common name:
    • 6-O-α-mycolyl-trehalose 6-phosphate
  • molecular weight:
    • 1540.305
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"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)COP([O-])(=O)[O-])O)O)O))" cannot be used as a page name in this wiki.



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