Difference between revisions of "CPD-13913"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17368 CPD-17368] == * smiles: ** CCCCCC=CCC=CCC=CCC=CCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13913 CPD-13913] == * smiles: ** C(O)C1(OC(=O)C(O)(C(=O)[O-])C(O)1) * inchi key: ** InChIKe...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17368 CPD-17368] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13913 CPD-13913] ==
 
* smiles:
 
* smiles:
−
** CCCCCC=CCC=CCC=CCC=CCCCC=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-]
+
** C(O)C1(OC(=O)C(O)(C(=O)[O-])C(O)1)
 
* inchi key:
 
* inchi key:
−
** InChIKey=XSIBQUOFLNIVEK-XPBIURITSA-J
+
** InChIKey=ZNJUNWARRIXWAA-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** trans-adre-2-enoyl-CoA
+
** 2-carboxy-L-xylonolactone
 
* molecular weight:
 
* molecular weight:
−
** 1075.997    
+
** 191.117    
 
* Synonym(s):
 
* Synonym(s):
−
** (2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA
 
−
** (2E,7Z,10Z,13Z,16Z)-docosa-2,7,10,13,16-pentaenoyl-CoA
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-16114]]
+
* [[RXN-12871]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-16113]]
+
* [[RXN-12870]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193787 72193787]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658445 90658445]
−
* CHEBI:
+
{{#set: smiles=C(O)C1(OC(=O)C(O)(C(=O)[O-])C(O)1)}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76416 76416]
+
{{#set: inchi key=InChIKey=ZNJUNWARRIXWAA-UHFFFAOYSA-M}}
−
{{#set: smiles=CCCCCC=CCC=CCC=CCC=CCCCC=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-]}}
+
{{#set: common name=2-carboxy-L-xylonolactone}}
−
{{#set: inchi key=InChIKey=XSIBQUOFLNIVEK-XPBIURITSA-J}}
+
{{#set: molecular weight=191.117   }}
−
{{#set: common name=trans-adre-2-enoyl-CoA}}
+
{{#set: consumed by=RXN-12871}}
−
{{#set: molecular weight=1075.997   }}
+
{{#set: produced by=RXN-12870}}
−
{{#set: common name=(2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA|(2E,7Z,10Z,13Z,16Z)-docosa-2,7,10,13,16-pentaenoyl-CoA}}
+
−
{{#set: consumed by=RXN-16114}}
+
−
{{#set: produced by=RXN-16113}}
+

Latest revision as of 19:09, 21 March 2018

Metabolite CPD-13913

  • smiles:
    • C(O)C1(OC(=O)C(O)(C(=O)[O-])C(O)1)
  • inchi key:
    • InChIKey=ZNJUNWARRIXWAA-UHFFFAOYSA-M
  • common name:
    • 2-carboxy-L-xylonolactone
  • molecular weight:
    • 191.117
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(O)C1(OC(=O)C(O)(C(=O)[O-])C(O)1)" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=CPD-13913&oldid=24964"