Difference between revisions of "CPD-15568"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIHYDROSIROHYDROCHLORIN DIHYDROSIROHYDROCHLORIN] == * smiles: ** CC5(CC(=O)[O-])(C(C4(=CC1(NC(=...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15568 CPD-15568] == * smiles: ** CCCCCCCCCCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIHYDROSIROHYDROCHLORIN DIHYDROSIROHYDROCHLORIN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15568 CPD-15568] ==
 
* smiles:
 
* smiles:
** CC5(CC(=O)[O-])(C(C4(=CC1(NC(=C(CCC(=O)[O-])C(CC(=O)[O-])=1)CC2(=C(CCC(=O)[O-])C(CC(=O)[O-])=C(N2)C=C3(C(C)(CC(=O)[O-])C(CCC(=O)[O-])C(=N3)C=C([N+]4)5)))))CCC(=O)[O-])
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** CCCCCCCCCCCC=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
 
* inchi key:
 
* inchi key:
** InChIKey=OQIIYZQTTMKFAU-ZNLOQLQNSA-G
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** InChIKey=MBCVYCOKMMMWLX-YYMFEJJQSA-J
 
* common name:
 
* common name:
** precorrin-2
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** 2-trans-tetradecenoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 857.803    
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** 971.845    
 
* Synonym(s):
 
* Synonym(s):
** dihydrosirohydrochlorin
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** (2E)-tetradecenoyl-CoA
 +
** trans-tetradec-2-enoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-14273]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-13403]]
 
* [[RXN-8675]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-8759]]
 
 
== External links  ==
 
== External links  ==
* CAS : 82542-92-5
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* BIGG : 45476
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245987 25245987]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173185 46173185]
* CHEBI:
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* HMDB : HMDB03946
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58827 58827]
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* BIGG : 39875
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* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C02463 C02463]
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** [http://www.genome.jp/dbget-bin/www_bget?C05273 C05273]
{{#set: smiles=CC5(CC(=O)[O-])(C(C4(=CC1(NC(=C(CCC(=O)[O-])C(CC(=O)[O-])=1)CC2(=C(CCC(=O)[O-])C(CC(=O)[O-])=C(N2)C=C3(C(C)(CC(=O)[O-])C(CCC(=O)[O-])C(=N3)C=C([N+]4)5)))))CCC(=O)[O-])}}
+
* CHEBI:
{{#set: inchi key=InChIKey=OQIIYZQTTMKFAU-ZNLOQLQNSA-G}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61405 61405]
{{#set: common name=precorrin-2}}
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* METABOLIGHTS : MTBLC61405
{{#set: molecular weight=857.803   }}
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{{#set: smiles=CCCCCCCCCCCC=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}}
{{#set: common name=dihydrosirohydrochlorin}}
+
{{#set: inchi key=InChIKey=MBCVYCOKMMMWLX-YYMFEJJQSA-J}}
{{#set: produced by=RXN-13403|RXN-8675}}
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{{#set: common name=2-trans-tetradecenoyl-CoA}}
{{#set: consumed or produced by=RXN-8759}}
+
{{#set: molecular weight=971.845   }}
 +
{{#set: common name=(2E)-tetradecenoyl-CoA|trans-tetradec-2-enoyl-CoA}}
 +
{{#set: consumed by=RXN-14273}}

Latest revision as of 20:46, 21 March 2018

Metabolite CPD-15568

  • smiles:
    • CCCCCCCCCCCC=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
  • inchi key:
    • InChIKey=MBCVYCOKMMMWLX-YYMFEJJQSA-J
  • common name:
    • 2-trans-tetradecenoyl-CoA
  • molecular weight:
    • 971.845
  • Synonym(s):
    • (2E)-tetradecenoyl-CoA
    • trans-tetradec-2-enoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • BIGG : 45476
  • PUBCHEM:
  • HMDB : HMDB03946
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC61405
"CCCCCCCCCCCC=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.