Difference between revisions of "3.2.1.25-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CA+2 CA+2] == * smiles: ** [Ca++] * inchi key: ** InChIKey=BHPQYMZQTOCNFJ-UHFFFAOYSA-N * common...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17346 CPD-17346] == * smiles: ** CCCCCC=CCC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CA+2 CA+2] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17346 CPD-17346] ==
 
* smiles:
 
* smiles:
−
** [Ca++]
+
** CCCCCC=CCC=CCCCCCCCC(=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=BHPQYMZQTOCNFJ-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
−
** Ca2+
+
** 3-oxo-(11Z,14Z)-icosa-11,14-dienoyl-CoA
 +
* inchi key:
 +
** InChIKey=PUWDUOCPCWFEFG-YGYQDCEASA-J
 
* molecular weight:
 
* molecular weight:
−
** 40.08    
+
** 1067.974    
 
* Synonym(s):
 
* Synonym(s):
−
** Ca+2
 
−
** Ca++
 
−
** calcium ion
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[TransportSeed_CA+2]]
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* [[RXN-16095]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[TransportSeed_CA+2]]
+
* [[RXN-16094]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[ExchangeSeed_CA+2]]
 
 
== External links  ==
 
== External links  ==
−
* BIGG : 33764
 
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=271 271]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71581045 71581045]
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* HMDB : HMDB00464
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00076 C00076]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.266.html 266]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29108 29108]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=74012 74012]
−
* METABOLIGHTS : MTBLC29108
+
{{#set: smiles=CCCCCC=CCC=CCCCCCCCC(=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: smiles=[Ca++]}}
+
{{#set: common name=3-oxo-(11Z,14Z)-icosa-11,14-dienoyl-CoA}}
−
{{#set: inchi key=InChIKey=BHPQYMZQTOCNFJ-UHFFFAOYSA-N}}
+
{{#set: inchi key=InChIKey=PUWDUOCPCWFEFG-YGYQDCEASA-J}}
−
{{#set: common name=Ca2+}}
+
{{#set: molecular weight=1067.974   }}
−
{{#set: molecular weight=40.08   }}
+
{{#set: consumed by=RXN-16095}}
−
{{#set: common name=Ca+2|Ca++|calcium ion}}
+
{{#set: produced by=RXN-16094}}
−
{{#set: consumed by=TransportSeed_CA+2}}
+
−
{{#set: produced by=TransportSeed_CA+2}}
+
−
{{#set: reversible reaction associated=ExchangeSeed_CA+2}}
+

Revision as of 14:57, 21 March 2018

Metabolite CPD-17346

  • smiles:
    • CCCCCC=CCC=CCCCCCCCC(=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-(11Z,14Z)-icosa-11,14-dienoyl-CoA
  • inchi key:
    • InChIKey=PUWDUOCPCWFEFG-YGYQDCEASA-J
  • molecular weight:
    • 1067.974
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCC=CCC=CCCCCCCCC(=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.



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