Difference between revisions of "CPD-7078"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-696 CPD-696] == * smiles: ** CC(C)C(=C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)(C)C(O)CCC2(CC...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9451 CPD-9451] == * smiles: ** CC(C(C(=O)[O-])=CC(=O)[O-])C * inchi key: ** InChIKey=NJMGRJ...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-696 CPD-696] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9451 CPD-9451] ==
 
* smiles:
 
* smiles:
** CC(C)C(=C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)(C)C(O)CCC2(CC12CCC(C)34)5))))
+
** CC(C(C(=O)[O-])=CC(=O)[O-])C
 
* inchi key:
 
* inchi key:
** InChIKey=BDHQMRXFDYJGII-XPNRYQHYSA-N
+
** InChIKey=NJMGRJLQRLFQQX-HYXAFXHYSA-L
 
* common name:
 
* common name:
** 24-methylenecycloartanol
+
** 2-isopropylmaleate
 
* molecular weight:
 
* molecular weight:
** 440.751    
+
** 156.138    
 
* Synonym(s):
 
* Synonym(s):
** 24(28)-methylenecycloartanol
+
** β-isopropylmaleate
 +
** 2-isopropylmaleic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-4021]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[3-ISOPROPYLMALISOM-RXN]]
 +
* [[RXN-8991]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21157981 21157981]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21954611 21954611]
 +
* HMDB : HMDB12241
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C08830 C08830]
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** [http://www.genome.jp/dbget-bin/www_bget?C02631 C02631]
{{#set: smiles=CC(C)C(=C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)(C)C(O)CCC2(CC12CCC(C)34)5))))}}
+
* CHEMSPIDER:
{{#set: inchi key=InChIKey=BDHQMRXFDYJGII-XPNRYQHYSA-N}}
+
** [http://www.chemspider.com/Chemical-Structure.10710392.html 10710392]
{{#set: common name=24-methylenecycloartanol}}
+
* CHEBI:
{{#set: molecular weight=440.751   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58085 58085]
{{#set: common name=24(28)-methylenecycloartanol}}
+
* BIGG : 2ippm
{{#set: produced by=RXN-4021}}
+
{{#set: smiles=CC(C(C(=O)[O-])=CC(=O)[O-])C}}
 +
{{#set: inchi key=InChIKey=NJMGRJLQRLFQQX-HYXAFXHYSA-L}}
 +
{{#set: common name=2-isopropylmaleate}}
 +
{{#set: molecular weight=156.138   }}
 +
{{#set: common name=β-isopropylmaleate|2-isopropylmaleic acid}}
 +
{{#set: consumed or produced by=3-ISOPROPYLMALISOM-RXN|RXN-8991}}

Revision as of 17:20, 10 January 2018

Metabolite CPD-9451

  • smiles:
    • CC(C(C(=O)[O-])=CC(=O)[O-])C
  • inchi key:
    • InChIKey=NJMGRJLQRLFQQX-HYXAFXHYSA-L
  • common name:
    • 2-isopropylmaleate
  • molecular weight:
    • 156.138
  • Synonym(s):
    • β-isopropylmaleate
    • 2-isopropylmaleic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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