Difference between revisions of "CPD-19155"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=QUINATE QUINATE] == * smiles: ** C([O-])(=O)C1(O)(CC(O)C(O)C(O)C1) * inchi key: ** InChIKey=AAW...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19155 CPD-19155] == * smiles: ** CCCCCCC=CCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=QUINATE QUINATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19155 CPD-19155] ==
 
* smiles:
 
* smiles:
** C([O-])(=O)C1(O)(CC(O)C(O)C(O)C1)
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** CCCCCCC=CCCCCCC(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:
 
* inchi key:
** InChIKey=AAWZDTNXLSGCEK-WYWMIBKRSA-M
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** InChIKey=ZIRSQPAPHGZDIL-VSCXGISKSA-J
 
* common name:
 
* common name:
** L-quinate
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** (S)-3-hydroxy-(9Z)-hexadecenoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 191.16    
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** 1015.898    
 
* Synonym(s):
 
* Synonym(s):
** (-)-quinic acid
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** (S)-3-hydroxy-16:1-Δ9-CoA
** (-)-quinate
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** (S)-3-hydroxy-9-cis-hexadecenoyl-CoA
** (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[QUINATE-5-DEHYDROGENASE-RXN]]
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* [[RXN-17790]]
* [[RXN-7967]]
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== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-17789]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 77-95-2
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{{#set: smiles=CCCCCCC=CCCCCCC(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-]}}
* PUBCHEM:
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{{#set: inchi key=InChIKey=ZIRSQPAPHGZDIL-VSCXGISKSA-J}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1560034 1560034]
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{{#set: common name=(S)-3-hydroxy-(9Z)-hexadecenoyl-CoA}}
* CHEMSPIDER:
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{{#set: molecular weight=1015.898   }}
** [http://www.chemspider.com/Chemical-Structure.1272058.html 1272058]
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{{#set: common name=(S)-3-hydroxy-16:1-Δ9-CoA|(S)-3-hydroxy-9-cis-hexadecenoyl-CoA}}
* CHEBI:
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{{#set: consumed by=RXN-17790}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29751 29751]
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{{#set: produced by=RXN-17789}}
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00296 C00296]
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{{#set: smiles=C([O-])(=O)C1(O)(CC(O)C(O)C(O)C1)}}
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{{#set: inchi key=InChIKey=AAWZDTNXLSGCEK-WYWMIBKRSA-M}}
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{{#set: common name=L-quinate}}
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{{#set: molecular weight=191.16   }}
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{{#set: common name=(-)-quinic acid|(-)-quinate|(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylate}}
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{{#set: consumed by=QUINATE-5-DEHYDROGENASE-RXN|RXN-7967}}
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Latest revision as of 19:51, 21 March 2018

Metabolite CPD-19155

  • smiles:
    • CCCCCCC=CCCCCCC(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=ZIRSQPAPHGZDIL-VSCXGISKSA-J
  • common name:
    • (S)-3-hydroxy-(9Z)-hexadecenoyl-CoA
  • molecular weight:
    • 1015.898
  • Synonym(s):
    • (S)-3-hydroxy-16:1-Δ9-CoA
    • (S)-3-hydroxy-9-cis-hexadecenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=CCCCCCC(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.