Difference between revisions of "CPD-17386"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SECOLOGANIN-CPD SECOLOGANIN-CPD] == * smiles: ** C=C[CH]1(C(OC=C(C(=O)OC)[CH](CC=O)1)OC2(OC(CO)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17386 CPD-17386] == * smiles: ** CCC=CCC=CCC=CCC=CCC=CCC=CCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SECOLOGANIN-CPD SECOLOGANIN-CPD] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17386 CPD-17386] ==
 
* smiles:
 
* smiles:
** C=C[CH]1(C(OC=C(C(=O)OC)[CH](CC=O)1)OC2(OC(CO)C(O)C(O)C(O)2))
+
** CCC=CCC=CCC=CCC=CCC=CCC=CCCC=CC(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-])=O
 
* common name:
 
* common name:
** secologanin
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** (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA
 
* inchi key:
 
* inchi key:
** InChIKey=CSKKDSFETGLMSB-NRZPKYKESA-N
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** InChIKey=NVOWZIBKQIWTDG-ADUCOSNASA-J
 
* molecular weight:
 
* molecular weight:
** 388.371    
+
** 1100.019    
 
* Synonym(s):
 
* Synonym(s):
** (-)-secologanin
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** (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-2,6,9,12,15,18,21-heptaenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[STRICTOSIDINE-SYNTHASE-RXN]]
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* [[RXN-16135]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-16134]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* LIPID_MAPS : LMPR0102070002
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=161276 161276]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193705 72193705]
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.141670.html 141670]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18002 18002]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76360 76360]
* LIGAND-CPD:
+
{{#set: smiles=CCC=CCC=CCC=CCC=CCC=CCC=CCCC=CC(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-])=O}}
** [http://www.genome.jp/dbget-bin/www_bget?C01852 C01852]
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{{#set: common name=(2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA}}
{{#set: smiles=C=C[CH]1(C(OC=C(C(=O)OC)[CH](CC=O)1)OC2(OC(CO)C(O)C(O)C(O)2))}}
+
{{#set: inchi key=InChIKey=NVOWZIBKQIWTDG-ADUCOSNASA-J}}
{{#set: common name=secologanin}}
+
{{#set: molecular weight=1100.019   }}
{{#set: inchi key=InChIKey=CSKKDSFETGLMSB-NRZPKYKESA-N}}
+
{{#set: common name=(2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-2,6,9,12,15,18,21-heptaenoyl-CoA}}
{{#set: molecular weight=388.371   }}
+
{{#set: consumed by=RXN-16135}}
{{#set: common name=(-)-secologanin}}
+
{{#set: produced by=RXN-16134}}
{{#set: consumed by=STRICTOSIDINE-SYNTHASE-RXN}}
+

Latest revision as of 20:01, 21 March 2018

Metabolite CPD-17386

  • smiles:
    • CCC=CCC=CCC=CCC=CCC=CCC=CCCC=CC(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-])=O
  • common name:
    • (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA
  • inchi key:
    • InChIKey=NVOWZIBKQIWTDG-ADUCOSNASA-J
  • molecular weight:
    • 1100.019
  • Synonym(s):
    • (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-2,6,9,12,15,18,21-heptaenoyl-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=CCC=CCC=CCCC=CC(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-])=O" cannot be used as a page name in this wiki.