Difference between revisions of "PRENAL"

Revision as of 17:25, 10 January 2018

smiles:
- C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)
inchi key:
- InChIKey=XHJKHSXHWJCBLX-AAEUAGOBSA-L
common name:
- betanidin
molecular weight:
- 386.317
Synonym(s):
- betanidin radical
- 2,6-Pyridinedicarboxylic acid

"C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)" cannot be used as a page name in this wiki.

@@ Line 1: / Line 1: @@
 [[Category:Metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=cis-cis-D7-25-3-hydroxyC44-2-ACPs cis-cis-D7-25-3-hydroxyC44-2-ACPs] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8653 CPD-8653] ==
+* smiles:
+** C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)
+* inchi key:
+** InChIKey=XHJKHSXHWJCBLX-AAEUAGOBSA-L
 * common name:
-** a cis,cis-delta7,25-3-hydroxyC44:2-[acp]
+** betanidin
+* molecular weight:
+** 386.317
 * Synonym(s):
+** betanidin radical
+** 2,6-Pyridinedicarboxylic acid
 == Reaction(s) known to consume the compound ==
+* [[RXN-8635]]
 == Reaction(s) known to produce the compound ==
-* [[RXN1G-384]]
 == Reaction(s) of unknown directionality ==
 == External links  ==
-{{#set: common name=a cis,cis-delta7,25-3-hydroxyC44:2-[acp]}}
+* DRUGBANK : DB00217
-{{#set: produced by=RXN1G-384}}
+* PUBCHEM:
+** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245506 25245506]
+* CHEBI:
+** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=3079 3079]
+* LIGAND-CPD:
+** [http://www.genome.jp/dbget-bin/www_bget?C08539 C08539]
+* HMDB : HMDB29407
+{{#set: smiles=C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)}}
+{{#set: inchi key=InChIKey=XHJKHSXHWJCBLX-AAEUAGOBSA-L}}
+{{#set: common name=betanidin}}
+{{#set: molecular weight=386.317    }}
+{{#set: common name=betanidin radical|2,6-Pyridinedicarboxylic acid}}
+{{#set: consumed by=RXN-8635}}