Difference between revisions of "CPD-14420"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-P-PANTOTHENATE 4-P-PANTOTHENATE] == * smiles: ** CC(C(C(=O)NCCC(=O)[O-])O)(COP([O-])([O-])=O)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14420 CPD-14420] == * smiles: ** CCC=CCC=CCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-P-PANTOTHENATE 4-P-PANTOTHENATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14420 CPD-14420] ==
 
* smiles:
 
* smiles:
** CC(C(C(=O)NCCC(=O)[O-])O)(COP([O-])([O-])=O)C
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** CCC=CCC=CCC=CCCCCCCCC=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:
 
* common name:
** (R)-4'-phosphopantothenate
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** icosatrienoyl-2-enoyl CoA
 
* inchi key:
 
* inchi key:
** InChIKey=XHFVGHPGDLDEQO-ZETCQYMHSA-K
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** InChIKey=YJKOIKYLHSMLHC-ATRRWJJYSA-J
 
* molecular weight:
 
* molecular weight:
** 296.193    
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** 1049.959    
 
* Synonym(s):
 
* Synonym(s):
** 4'-phosphopantothenate
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** 18:3Δ9,12,15
** 4'-P-Pantothenate
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** (9Z,12Z,15Z)-octadecatrienoyl-CoA
** D-4'-phosphopantothenate
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** eicosatrienoyl-2-enoyl CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[P-PANTOCYSLIG-RXN]]
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* [[RXN-12997]]
* [[RXN66-555]]
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== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[PANTOTHENATE-KIN-RXN]]
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* [[RXN-13001]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* BIGG : 4ppan
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=16755653 16755653]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72551551 72551551]
* HMDB : HMDB01016
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C03492 C03492]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=10986 10986]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76456 76456]
* METABOLIGHTS : MTBLC10986
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{{#set: smiles=CCC=CCC=CCC=CCCCCCCCC=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=CC(C(C(=O)NCCC(=O)[O-])O)(COP([O-])([O-])=O)C}}
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{{#set: common name=icosatrienoyl-2-enoyl CoA}}
{{#set: common name=(R)-4'-phosphopantothenate}}
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{{#set: inchi key=InChIKey=YJKOIKYLHSMLHC-ATRRWJJYSA-J}}
{{#set: inchi key=InChIKey=XHFVGHPGDLDEQO-ZETCQYMHSA-K}}
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{{#set: molecular weight=1049.959   }}
{{#set: molecular weight=296.193   }}
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{{#set: common name=18:3Δ9,12,15|(9Z,12Z,15Z)-octadecatrienoyl-CoA|eicosatrienoyl-2-enoyl CoA}}
{{#set: common name=4'-phosphopantothenate|4'-P-Pantothenate|D-4'-phosphopantothenate}}
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{{#set: consumed by=RXN-12997}}
{{#set: consumed by=P-PANTOCYSLIG-RXN|RXN66-555}}
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{{#set: produced by=RXN-13001}}
{{#set: produced by=PANTOTHENATE-KIN-RXN}}
+

Latest revision as of 20:46, 21 March 2018

Metabolite CPD-14420

  • smiles:
    • CCC=CCC=CCC=CCCCCCCCC=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:
    • icosatrienoyl-2-enoyl CoA
  • inchi key:
    • InChIKey=YJKOIKYLHSMLHC-ATRRWJJYSA-J
  • molecular weight:
    • 1049.959
  • Synonym(s):
    • 18:3Δ9,12,15
    • (9Z,12Z,15Z)-octadecatrienoyl-CoA
    • eicosatrienoyl-2-enoyl 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=CCCCCCCCC=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.