Difference between revisions of "CPD-380"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=MALONATE-S-ALD MALONATE-S-ALD] == * smiles: ** [CH](=O)CC([O-])=O * inchi key: ** InChIKey=OAKU...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-464 CPD-464] == * smiles: ** CC(=CCCC(=CCCC(=CCCC(=CC1(C(CCC=C(CCC=C(CCC=C(C)C)C)C)(C1COP(O...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=MALONATE-S-ALD MALONATE-S-ALD] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-464 CPD-464] ==
 
* smiles:
 
* smiles:
** [CH](=O)CC([O-])=O
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** CC(=CCCC(=CCCC(=CCCC(=CC1(C(CCC=C(CCC=C(CCC=C(C)C)C)C)(C1COP(OP(=O)([O-])[O-])([O-])=O)C))C)C)C)C
 
* inchi key:
 
* inchi key:
** InChIKey=OAKURXIZZOAYBC-UHFFFAOYSA-M
+
** InChIKey=RVCNKTPCHZNAAO-XGYYIUAYSA-K
 
* common name:
 
* common name:
** 3-oxopropanoate
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** prephytoene diphosphate
 
* molecular weight:
 
* molecular weight:
** 87.055    
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** 719.897    
 
* Synonym(s):
 
* Synonym(s):
** malonate semialdehyde
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** (1R,2R,3R)-prephytoene diphosphate
** malonic semialdehyde
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-2902]]
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* [[RXNARA-8002]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[2.5.1.32-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 926-61-4
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9543142 9543142]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245670 25245670]
* HMDB : HMDB11111
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00222 C00222]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.7822115.html 7822115]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=33190 33190]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58011 58011]
* METABOLIGHTS : MTBLC33190
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* LIGAND-CPD:
{{#set: smiles=[CH](=O)CC([O-])=O}}
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** [http://www.genome.jp/dbget-bin/www_bget?C03427 C03427]
{{#set: inchi key=InChIKey=OAKURXIZZOAYBC-UHFFFAOYSA-M}}
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* HMDB : HMDB03023
{{#set: common name=3-oxopropanoate}}
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{{#set: smiles=CC(=CCCC(=CCCC(=CCCC(=CC1(C(CCC=C(CCC=C(CCC=C(C)C)C)C)(C1COP(OP(=O)([O-])[O-])([O-])=O)C))C)C)C)C}}
{{#set: molecular weight=87.055   }}
+
{{#set: inchi key=InChIKey=RVCNKTPCHZNAAO-XGYYIUAYSA-K}}
{{#set: common name=malonate semialdehyde|malonic semialdehyde}}
+
{{#set: common name=prephytoene diphosphate}}
{{#set: consumed by=RXN-2902}}
+
{{#set: molecular weight=719.897   }}
 +
{{#set: common name=(1R,2R,3R)-prephytoene diphosphate}}
 +
{{#set: consumed by=RXNARA-8002}}
 +
{{#set: produced by=2.5.1.32-RXN}}

Revision as of 13:58, 21 March 2018

Metabolite CPD-464

  • smiles:
    • CC(=CCCC(=CCCC(=CCCC(=CC1(C(CCC=C(CCC=C(CCC=C(C)C)C)C)(C1COP(OP(=O)([O-])[O-])([O-])=O)C))C)C)C)C
  • inchi key:
    • InChIKey=RVCNKTPCHZNAAO-XGYYIUAYSA-K
  • common name:
    • prephytoene diphosphate
  • molecular weight:
    • 719.897
  • Synonym(s):
    • (1R,2R,3R)-prephytoene diphosphate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=CCCC(=CCCC(=CCCC(=CC1(C(CCC=C(CCC=C(CCC=C(C)C)C)C)(C1COP(OP(=O)([O-])[O-])([O-])=O)C))C)C)C)C" cannot be used as a page name in this wiki.