Difference between revisions of "CPD-14392"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DEOXYADENOSINE DEOXYADENOSINE] == * smiles: ** C(O)C1(OC(CC(O)1)N3(C=NC2(=C(N)N=CN=C23))) * inc...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14392 CPD-14392] == * smiles: ** CCC=CCC=CCC=CCC=CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(...")
 
(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=DEOXYADENOSINE DEOXYADENOSINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14392 CPD-14392] ==
 
* smiles:
 
* smiles:
** C(O)C1(OC(CC(O)1)N3(C=NC2(=C(N)N=CN=C23)))
+
** CCC=CCC=CCC=CCC=CCCCCC(=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=OLXZPDWKRNYJJZ-RRKCRQDMSA-N
+
** InChIKey=DDHCSALWDPRVCN-USWKVXSKSA-J
 
* common name:
 
* common name:
** 2'-deoxyadenosine
+
** stearidonoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 251.244    
+
** 1021.905    
 
* Synonym(s):
 
* Synonym(s):
** deoxyadenosine
+
** (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl-coA
** 2-deoxy-adenosine
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ADDALT-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-16041]]
 +
* [[RXN-13426]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 958-09-8
 
* BIGG : 35352
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=13730 13730]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=70698349 70698349]
* HMDB : HMDB00101
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00559 C00559]
+
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.13135.html 13135]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17256 17256]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71489 71489]
* METABOLIGHTS : MTBLC17256
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{{#set: smiles=CCC=CCC=CCC=CCC=CCCCCC(=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=C(O)C1(OC(CC(O)1)N3(C=NC2(=C(N)N=CN=C23)))}}
+
{{#set: inchi key=InChIKey=DDHCSALWDPRVCN-USWKVXSKSA-J}}
{{#set: inchi key=InChIKey=OLXZPDWKRNYJJZ-RRKCRQDMSA-N}}
+
{{#set: common name=stearidonoyl-CoA}}
{{#set: common name=2'-deoxyadenosine}}
+
{{#set: molecular weight=1021.905   }}
{{#set: molecular weight=251.244   }}
+
{{#set: common name=(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl-coA}}
{{#set: common name=deoxyadenosine|2-deoxy-adenosine}}
+
{{#set: produced by=RXN-16041|RXN-13426}}
{{#set: consumed by=ADDALT-RXN}}
+

Latest revision as of 20:55, 21 March 2018

Metabolite CPD-14392

  • smiles:
    • CCC=CCC=CCC=CCC=CCCCCC(=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=DDHCSALWDPRVCN-USWKVXSKSA-J
  • common name:
    • stearidonoyl-CoA
  • molecular weight:
    • 1021.905
  • Synonym(s):
    • (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl-coA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCC=CCC=CCC=CCCCCC(=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.