Difference between revisions of "CPD-19160"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SPERMIDINE SPERMIDINE] == * smiles: ** C([N+])CC[N+]CCCC[N+] * inchi key: ** InChIKey=ATHGHQPFG...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19160 CPD-19160] == * smiles: ** CCCCCCC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SPERMIDINE SPERMIDINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19160 CPD-19160] ==
 
* smiles:
 
* smiles:
−
** C([N+])CC[N+]CCCC[N+]
+
** CCCCCCC=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:
 
* inchi key:
−
** InChIKey=ATHGHQPFGPMSJY-UHFFFAOYSA-Q
+
** InChIKey=OUROWZUTGFHRJE-SAIINBSPSA-J
 
* common name:
 
* common name:
−
** spermidine
+
** 3-oxo-(11Z)-octadecenoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 148.271    
+
** 1041.936    
 
* Synonym(s):
 
* Synonym(s):
−
** N-(3-aminopropyl)butane-1,4-diamine
+
** 3-oxo-18:1-Δ11-CoA
 +
** 3-oxo-11-cis-octadecenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[SPERMINE-SYNTHASE-RXN]]
 
−
* [[RXN-13414]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-17786]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[SPERMIDINESYN-RXN]]
 
−
* [[2.5.1.46-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 124-20-9
+
{{#set: smiles=CCCCCCC=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-]}}
−
* BIGG : 34593
+
{{#set: inchi key=InChIKey=OUROWZUTGFHRJE-SAIINBSPSA-J}}
−
* PUBCHEM:
+
{{#set: common name=3-oxo-(11Z)-octadecenoyl-CoA}}
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6992097 6992097]
+
{{#set: molecular weight=1041.936   }}
−
* HMDB : HMDB01257
+
{{#set: common name=3-oxo-18:1-Δ11-CoA|3-oxo-11-cis-octadecenoyl-CoA}}
−
* LIGAND-CPD:
+
{{#set: produced by=RXN-17786}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C00315 C00315]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.5360248.html 5360248]
+
−
* CHEBI:
+
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57834 57834]
+
−
* METABOLIGHTS : MTBLC57834
+
−
{{#set: smiles=C([N+])CC[N+]CCCC[N+]}}
+
−
{{#set: inchi key=InChIKey=ATHGHQPFGPMSJY-UHFFFAOYSA-Q}}
+
−
{{#set: common name=spermidine}}
+
−
{{#set: molecular weight=148.271   }}
+
−
{{#set: common name=N-(3-aminopropyl)butane-1,4-diamine}}
+
−
{{#set: consumed by=SPERMINE-SYNTHASE-RXN|RXN-13414}}
+
−
{{#set: consumed or produced by=SPERMIDINESYN-RXN|2.5.1.46-RXN}}
+

Latest revision as of 20:02, 21 March 2018

Metabolite CPD-19160

  • smiles:
    • CCCCCCC=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=OUROWZUTGFHRJE-SAIINBSPSA-J
  • common name:
    • 3-oxo-(11Z)-octadecenoyl-CoA
  • molecular weight:
    • 1041.936
  • Synonym(s):
    • 3-oxo-18:1-Δ11-CoA
    • 3-oxo-11-cis-octadecenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=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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