Difference between revisions of "CHC T00010087001 1"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ALPHA-GLUCOSE ALPHA-GLUCOSE] == * smiles: ** C(O)C1(OC(C(C(C1O)O)O)O) * inchi key: ** InChIKey=...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19169 CPD-19169] == * smiles: ** CCCCCCCCC=CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ALPHA-GLUCOSE ALPHA-GLUCOSE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19169 CPD-19169] ==
 
* smiles:
 
* smiles:
−
** C(O)C1(OC(C(C(C1O)O)O)O)
+
** CCCCCCCCC=CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=WQZGKKKJIJFFOK-DVKNGEFBSA-N
+
** InChIKey=AVEYYKDEKGJVBU-BPMMELMSSA-J
 
* common name:
 
* common name:
−
** α-D-glucopyranose
+
** 3-oxo-(9Z)-octadecenoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 180.157    
+
** 1041.936    
 
* Synonym(s):
 
* Synonym(s):
−
** α-glucose
+
** 3-oxo-18:1-Δ9-CoA
−
** α-D-glucose
+
** 3-oxo-9-cis-octadecenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-17778]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[TREHALA-RXN]]
+
* [[RXN-17777]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-1828]]
 
−
* [[ALDOSE-1-EPIMERASE-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* PUBCHEM:
+
{{#set: smiles=CCCCCCCCC=CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-]}}
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=79025 79025]
+
{{#set: inchi key=InChIKey=AVEYYKDEKGJVBU-BPMMELMSSA-J}}
−
* HMDB : HMDB03345
+
{{#set: common name=3-oxo-(9Z)-octadecenoyl-CoA}}
−
* LIGAND-CPD:
+
{{#set: molecular weight=1041.936   }}
−
** [http://www.genome.jp/dbget-bin/www_bget?C00267 C00267]
+
{{#set: common name=3-oxo-18:1-Δ9-CoA|3-oxo-9-cis-octadecenoyl-CoA}}
−
* CHEMSPIDER:
+
{{#set: consumed by=RXN-17778}}
−
** [http://www.chemspider.com/Chemical-Structure.71358.html 71358]
+
{{#set: produced by=RXN-17777}}
−
* CHEBI:
+
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17925 17925]
+
−
* METABOLIGHTS : MTBLC17925
+
−
{{#set: smiles=C(O)C1(OC(C(C(C1O)O)O)O)}}
+
−
{{#set: inchi key=InChIKey=WQZGKKKJIJFFOK-DVKNGEFBSA-N}}
+
−
{{#set: common name=α-D-glucopyranose}}
+
−
{{#set: molecular weight=180.157   }}
+
−
{{#set: common name=α-glucose|α-D-glucose}}
+
−
{{#set: produced by=TREHALA-RXN}}
+
−
{{#set: consumed or produced by=RXN-1828|ALDOSE-1-EPIMERASE-RXN}}
+

Revision as of 12:07, 18 January 2018

Metabolite CPD-19169

  • smiles:
    • CCCCCCCCC=CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-]
  • inchi key:
    • InChIKey=AVEYYKDEKGJVBU-BPMMELMSSA-J
  • common name:
    • 3-oxo-(9Z)-octadecenoyl-CoA
  • molecular weight:
    • 1041.936
  • Synonym(s):
    • 3-oxo-18:1-Δ9-CoA
    • 3-oxo-9-cis-octadecenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCC=CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-" cannot be used as a page name in this wiki.




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