Difference between revisions of "CPD0-2105"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-AMINOACRYLATE 2-AMINOACRYLATE] == * smiles: ** C=C(N)C(=O)[O-] * common name: ** 2-aminoprop-...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2105 CPD0-2105] == * smiles: ** CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-AMINOACRYLATE 2-AMINOACRYLATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2105 CPD0-2105] ==
 
* smiles:
 
* smiles:
** C=C(N)C(=O)[O-]
+
** CCCCCCCCCC(=O)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-]
 
* common name:
 
* common name:
** 2-aminoprop-2-enoate
+
** 3-oxododecanoyl-CoA
 
* inchi key:
 
* inchi key:
** InChIKey=UQBOJOOOTLPNST-UHFFFAOYSA-M
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** InChIKey=HQANBZHVWIDNQZ-GMHMEAMDSA-J
 
* molecular weight:
 
* molecular weight:
** 86.07    
+
** 959.791    
 
* Synonym(s):
 
* Synonym(s):
** 2-aminoacrylate
+
** 3-oxolauroyl-CoA
** α-aminoacrylate
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** 2-aminoacrylic acid
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** 2,3-didehydroalanine
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** α,β-dehydroalanine
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** anhydroserine 2-aminopropenoic acid
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** dehydroalanine
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-15124]]
 
* [[RXN-8899]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-15131]]
 
* [[RXN-15137]]
 
* [[RXN-15129]]
 
* [[RXN-15128]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[HACD5m]]
 +
* [[RXN-14274]]
 +
* [[HACD5]]
 
== External links  ==
 
== External links  ==
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=22022579 22022579]
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.10759332.html 10759332]
 
* HMDB : HMDB03609
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58020 58020]
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C02218 C02218]
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** [http://www.genome.jp/dbget-bin/www_bget?C05263 C05263]
{{#set: smiles=C=C(N)C(=O)[O-]}}
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* HMDB : HMDB03937
{{#set: common name=2-aminoprop-2-enoate}}
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* CHEBI:
{{#set: inchi key=InChIKey=UQBOJOOOTLPNST-UHFFFAOYSA-M}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62615 62615]
{{#set: molecular weight=86.07   }}
+
* BIGG : 3oddcoa
{{#set: common name=2-aminoacrylate|α-aminoacrylate|2-aminoacrylic acid|2,3-didehydroalanine|α,β-dehydroalanine|anhydroserine 2-aminopropenoic acid|dehydroalanine}}
+
* PUBCHEM:
{{#set: consumed by=RXN-15124|RXN-8899}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173506 46173506]
{{#set: produced by=RXN-15131|RXN-15137|RXN-15129|RXN-15128}}
+
{{#set: smiles=CCCCCCCCCC(=O)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=3-oxododecanoyl-CoA}}
 +
{{#set: inchi key=InChIKey=HQANBZHVWIDNQZ-GMHMEAMDSA-J}}
 +
{{#set: molecular weight=959.791   }}
 +
{{#set: common name=3-oxolauroyl-CoA}}
 +
{{#set: reversible reaction associated=HACD5m|RXN-14274|HACD5}}

Latest revision as of 19:14, 21 March 2018

Metabolite CPD0-2105

  • smiles:
    • CCCCCCCCCC(=O)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-]
  • common name:
    • 3-oxododecanoyl-CoA
  • inchi key:
    • InChIKey=HQANBZHVWIDNQZ-GMHMEAMDSA-J
  • molecular weight:
    • 959.791
  • Synonym(s):
    • 3-oxolauroyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCCC(=O)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-" cannot be used as a page name in this wiki.