Difference between revisions of "CPD-13188"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2117 CPD0-2117] == * smiles: ** CCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13188 CPD-13188] == * smiles: ** CC2(OC(OC1(C(O)C(O)OC(CO)C(O)1))C(O)C(O)C2OC3(OC(CO)C(C(O)...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2117 CPD0-2117] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13188 CPD-13188] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
+
** CC2(OC(OC1(C(O)C(O)OC(CO)C(O)1))C(O)C(O)C2OC3(OC(CO)C(C(O)C(O)3)O))
 
* inchi key:
 
* inchi key:
−
** InChIKey=JUPAQFRKPHPXLD-MSHHSVQMSA-J
+
** InChIKey=CWVRQJBCBCTFLT-XXFCETQUSA-N
 
* common name:
 
* common name:
−
** trans-hexadec-2-enoyl-CoA
+
** β-D-Glcp-(1→4)-α-L-Rhap-(1→3)-β-D-Glcp
 
* molecular weight:
 
* molecular weight:
−
** 999.899    
+
** 488.442    
 
* Synonym(s):
 
* Synonym(s):
−
** trans-2-hexadecenoyl-CoA
 
−
** (2E)-hexadecenoyl-CoA
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-14272]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12270]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* BIGG : 45474
 
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173176 46173176]
 
−
* HMDB : HMDB03945
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C05272 C05272]
+
** [http://www.genome.jp/dbget-bin/www_bget?C19966 C19966]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61526 61526]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=63259 63259]
−
* METABOLIGHTS : MTBLC61526
+
* PUBCHEM:
−
{{#set: smiles=CCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=52940204 52940204]
−
{{#set: inchi key=InChIKey=JUPAQFRKPHPXLD-MSHHSVQMSA-J}}
+
{{#set: smiles=CC2(OC(OC1(C(O)C(O)OC(CO)C(O)1))C(O)C(O)C2OC3(OC(CO)C(C(O)C(O)3)O))}}
−
{{#set: common name=trans-hexadec-2-enoyl-CoA}}
+
{{#set: inchi key=InChIKey=CWVRQJBCBCTFLT-XXFCETQUSA-N}}
−
{{#set: molecular weight=999.899   }}
+
{{#set: common name=β-D-Glcp-(1→4)-α-L-Rhap-(1→3)-β-D-Glcp}}
−
{{#set: common name=trans-2-hexadecenoyl-CoA|(2E)-hexadecenoyl-CoA}}
+
{{#set: molecular weight=488.442   }}
−
{{#set: consumed by=RXN-14272}}
+
{{#set: produced by=RXN-12270}}

Latest revision as of 19:36, 21 March 2018

Metabolite CPD-13188

  • smiles:
    • CC2(OC(OC1(C(O)C(O)OC(CO)C(O)1))C(O)C(O)C2OC3(OC(CO)C(C(O)C(O)3)O))
  • inchi key:
    • InChIKey=CWVRQJBCBCTFLT-XXFCETQUSA-N
  • common name:
    • β-D-Glcp-(1→4)-α-L-Rhap-(1→3)-β-D-Glcp
  • molecular weight:
    • 488.442
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links



Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=CPD-13188&oldid=28071"