Difference between revisions of "CPD-18491"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ISOPENICILLIN-N ISOPENICILLIN-N] == * smiles: ** CC1(C)(S[CH]2(C(C(=O)N(C(C(=O)[O-])1)2)NC(=O)C...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18491 CPD-18491] == * smiles: ** CCCCCC=CCC=CCC=CCC=CCC=CCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ISOPENICILLIN-N ISOPENICILLIN-N] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18491 CPD-18491] ==
 
* smiles:
 
* smiles:
** CC1(C)(S[CH]2(C(C(=O)N(C(C(=O)[O-])1)2)NC(=O)CCCC([N+])C(=O)[O-]))
+
** CCCCCC=CCC=CCC=CCC=CCC=CCCCCC(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:
** isopenicillin N
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** (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
 
* inchi key:
 
* inchi key:
** InChIKey=MIFYHUACUWQUKT-GTQWGBSQSA-M
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** InChIKey=XZYNVQDKYRHKFG-QOJZHLSOSA-J
 
* molecular weight:
 
* molecular weight:
** 358.388    
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** 1104.05    
 
* Synonym(s):
 
* Synonym(s):
 +
** (6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-17113]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[1.21.3.1-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244809 25244809]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71581137 71581137]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58399 58399]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=74084 74084]
* METABOLIGHTS : MTBLC58399
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{{#set: smiles=CCCCCC=CCC=CCC=CCC=CCC=CCCCCC(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}}
* LIGAND-CPD:
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{{#set: common name=(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA}}
** [http://www.genome.jp/dbget-bin/www_bget?C05557 C05557]
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{{#set: inchi key=InChIKey=XZYNVQDKYRHKFG-QOJZHLSOSA-J}}
{{#set: smiles=CC1(C)(S[CH]2(C(C(=O)N(C(C(=O)[O-])1)2)NC(=O)CCCC([N+])C(=O)[O-]))}}
+
{{#set: molecular weight=1104.05   }}
{{#set: common name=isopenicillin N}}
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{{#set: common name=(6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoyl-CoA}}
{{#set: inchi key=InChIKey=MIFYHUACUWQUKT-GTQWGBSQSA-M}}
+
{{#set: consumed by=RXN-17113}}
{{#set: molecular weight=358.388   }}
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{{#set: produced by=1.21.3.1-RXN}}
+

Latest revision as of 19:49, 21 March 2018

Metabolite CPD-18491

  • smiles:
    • CCCCCC=CCC=CCC=CCC=CCC=CCCCCC(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:
    • (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
  • inchi key:
    • InChIKey=XZYNVQDKYRHKFG-QOJZHLSOSA-J
  • molecular weight:
    • 1104.05
  • Synonym(s):
    • (6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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