Difference between revisions of "CPD-4441"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COBALT-SIROHYDROCHLORIN COBALT-SIROHYDROCHLORIN] == * smiles: ** CC1(CC(=O)[O-])(C2(=CC5(C(CCC(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4441 CPD-4441] == * smiles: ** CC(CO)=CCNC2(C1(=C(NC=N1)N=CN=2)) * inchi key: ** InChIKey=U...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COBALT-SIROHYDROCHLORIN COBALT-SIROHYDROCHLORIN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4441 CPD-4441] ==
 
* smiles:
 
* smiles:
−
** CC1(CC(=O)[O-])(C2(=CC5(C(CCC(=O)[O-])C(C)(CC(=O)[O-])C6(=CC4(=C(CC(=O)[O-])C(CCC(=O)[O-])=C3(C=C8(C(CCC(=O)[O-])=C(CC(=O)[O-])C7(C=C(C(CCC(=O)[O-])1)N2[Co--](N34)([N+]=56)[N+]=78))))))))
+
** CC(CO)=CCNC2(C1(=C(NC=N1)N=CN=2))
 
* inchi key:
 
* inchi key:
−
** InChIKey=XZMXJYDTAININL-QIISWYHFSA-D
+
** InChIKey=UZKQTCBAMSWPJD-UQCOIBPSSA-N
 
* common name:
 
* common name:
−
** cobalt-sirohydrochlorin
+
** cis-zeatin
 
* molecular weight:
 
* molecular weight:
−
** 911.694    
+
** 219.246    
 
* Synonym(s):
 
* Synonym(s):
−
** cobalt-factor II
+
** (Z)-2-methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol
 +
** cZ
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-4733]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[4.99.1.3-RXN]]
 
 
== 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=70678581 70678581]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=688597 688597]
−
* CHEBI:
+
* HMDB : HMDB12204
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60049 60049]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C11538 C11538]
+
** [http://www.genome.jp/dbget-bin/www_bget?C15545 C15545]
−
{{#set: smiles=CC1(CC(=O)[O-])(C2(=CC5(C(CCC(=O)[O-])C(C)(CC(=O)[O-])C6(=CC4(=C(CC(=O)[O-])C(CCC(=O)[O-])=C3(C=C8(C(CCC(=O)[O-])=C(CC(=O)[O-])C7(C=C(C(CCC(=O)[O-])1)N2[Co--](N34)([N+]=56)[N+]=78))))))))}}
+
* CHEMSPIDER:
−
{{#set: inchi key=InChIKey=XZMXJYDTAININL-QIISWYHFSA-D}}
+
** [http://www.chemspider.com/Chemical-Structure.600017.html 600017]
−
{{#set: common name=cobalt-sirohydrochlorin}}
+
* CHEBI:
−
{{#set: molecular weight=911.694   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=46570 46570]
−
{{#set: common name=cobalt-factor II}}
+
* METABOLIGHTS : MTBLC46570
−
{{#set: produced by=4.99.1.3-RXN}}
+
{{#set: smiles=CC(CO)=CCNC2(C1(=C(NC=N1)N=CN=2))}}
 +
{{#set: inchi key=InChIKey=UZKQTCBAMSWPJD-UQCOIBPSSA-N}}
 +
{{#set: common name=cis-zeatin}}
 +
{{#set: molecular weight=219.246   }}
 +
{{#set: common name=(Z)-2-methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol|cZ}}
 +
{{#set: consumed by=RXN-4733}}

Latest revision as of 20:59, 21 March 2018

Metabolite CPD-4441

  • smiles:
    • CC(CO)=CCNC2(C1(=C(NC=N1)N=CN=2))
  • inchi key:
    • InChIKey=UZKQTCBAMSWPJD-UQCOIBPSSA-N
  • common name:
    • cis-zeatin
  • molecular weight:
    • 219.246
  • Synonym(s):
    • (Z)-2-methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol
    • cZ

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-4441&oldid=30848"