Difference between revisions of "RXN-7978"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13357 CPD-13357] == * smiles: ** CC(C)(O)C(O)C(=O)[O-] * inchi key: ** InChIKey=JTEYKUFKXGD...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15244 CPD-15244] == * smiles: ** CCCCCCCCC=CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13357 CPD-13357] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15244 CPD-15244] ==
 
* smiles:
 
* smiles:
** CC(C)(O)C(O)C(=O)[O-]
+
** CCCCCCCCC=CCC(=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-]
* inchi key:
+
** InChIKey=JTEYKUFKXGDTEU-VKHMYHEASA-M
+
 
* common name:
 
* common name:
** (2R)-2,3-dihydroxy-3-methylbutanoate
+
** 3-oxo-(5Z)-tetradecenoyl-CoA
 +
* inchi key:
 +
** InChIKey=KADPWMJVUVWQNK-STFCKWFXSA-J
 
* molecular weight:
 
* molecular weight:
** 133.124    
+
** 985.829    
 
* Synonym(s):
 
* Synonym(s):
** (R)-2,3-dihydroxy-3-methylbutanoate
+
** 3-oxo-5-cis-tetradecenoyl-CoA
** (R)-2,3-dihydroxy-isovalerate
+
** 3-oxo-14:1-Δ5-CoA
 +
** 3-keto-5-cis-tetradecenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[DMHL]]
+
* [[RXN-14394]]
* [[DHAD_3mob_h]]
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* [[DHAD_3mob]]
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* [[DIHYDROXYISOVALDEHYDRAT-RXN]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-14393]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[ACETOLACTREDUCTOISOM-RXN]]
 
 
== External links  ==
 
== External links  ==
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C04272 C04272]
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.19951355.html 19951355]
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=49072 49072]
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=23615351 23615351]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659295 90659295]
* HMDB : HMDB12141
+
* CHEBI:
{{#set: smiles=CC(C)(O)C(O)C(=O)[O-]}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=87707 87707]
{{#set: inchi key=InChIKey=JTEYKUFKXGDTEU-VKHMYHEASA-M}}
+
{{#set: smiles=CCCCCCCCC=CCC(=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=(2R)-2,3-dihydroxy-3-methylbutanoate}}
+
{{#set: common name=3-oxo-(5Z)-tetradecenoyl-CoA}}
{{#set: molecular weight=133.124   }}
+
{{#set: inchi key=InChIKey=KADPWMJVUVWQNK-STFCKWFXSA-J}}
{{#set: common name=(R)-2,3-dihydroxy-3-methylbutanoate|(R)-2,3-dihydroxy-isovalerate}}
+
{{#set: molecular weight=985.829   }}
{{#set: consumed by=DMHL|DHAD_3mob_h|DHAD_3mob|DIHYDROXYISOVALDEHYDRAT-RXN}}
+
{{#set: common name=3-oxo-5-cis-tetradecenoyl-CoA|3-oxo-14:1-Δ5-CoA|3-keto-5-cis-tetradecenoyl-CoA}}
{{#set: reversible reaction associated=ACETOLACTREDUCTOISOM-RXN}}
+
{{#set: consumed by=RXN-14394}}
 +
{{#set: produced by=RXN-14393}}

Revision as of 15:59, 21 March 2018

Metabolite CPD-15244

  • smiles:
    • CCCCCCCCC=CCC(=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-oxo-(5Z)-tetradecenoyl-CoA
  • inchi key:
    • InChIKey=KADPWMJVUVWQNK-STFCKWFXSA-J
  • molecular weight:
    • 985.829
  • Synonym(s):
    • 3-oxo-5-cis-tetradecenoyl-CoA
    • 3-oxo-14:1-Δ5-CoA
    • 3-keto-5-cis-tetradecenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCC=CCC(=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.