Difference between revisions of "CPD-17368"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SIROHEME SIROHEME] == * smiles: ** CC4(CC(=O)[O-])(C(CCC(=O)[O-])C6(=CC8(=C(CC([O-])=O)C(CCC(=O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17368 CPD-17368] == * smiles: ** CCCCCC=CCC=CCC=CCC=CCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SIROHEME SIROHEME] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17368 CPD-17368] ==
 
* smiles:
 
* smiles:
** CC4(CC(=O)[O-])(C(CCC(=O)[O-])C6(=CC8(=C(CC([O-])=O)C(CCC(=O)[O-])=C7(N([Fe--]25([N+]1(C(C(CCC([O-])=O)=C(CC(=O)[O-])C=1C=C3(C(C)(CC(=O)[O-])C(CCC(=O)[O-])C(N23)=CC4=[N+]56))=C7)))8))))
+
** CCCCCC=CCC=CCC=CCC=CCCCC=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=DLKSSIHHLYNIKN-QIISWYHFSA-D
+
** InChIKey=XSIBQUOFLNIVEK-XPBIURITSA-J
 
* common name:
 
* common name:
** siroheme
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** trans-adre-2-enoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 908.611    
+
** 1075.997    
 
* Synonym(s):
 
* Synonym(s):
 +
** (2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA
 +
** (2E,7Z,10Z,13Z,16Z)-docosa-2,7,10,13,16-pentaenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-16114]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[SIROHEME-FERROCHELAT-RXN]]
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* [[RXN-16113]]
 
== 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=70678579 70678579]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193787 72193787]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60052 60052]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76416 76416]
* BIGG : 35869
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{{#set: smiles=CCCCCC=CCC=CCC=CCC=CCCCC=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-]}}
* LIGAND-CPD:
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{{#set: inchi key=InChIKey=XSIBQUOFLNIVEK-XPBIURITSA-J}}
** [http://www.genome.jp/dbget-bin/www_bget?C00748 C00748]
+
{{#set: common name=trans-adre-2-enoyl-CoA}}
{{#set: smiles=CC4(CC(=O)[O-])(C(CCC(=O)[O-])C6(=CC8(=C(CC([O-])=O)C(CCC(=O)[O-])=C7(N([Fe--]25([N+]1(C(C(CCC([O-])=O)=C(CC(=O)[O-])C=1C=C3(C(C)(CC(=O)[O-])C(CCC(=O)[O-])C(N23)=CC4=[N+]56))=C7)))8))))}}
+
{{#set: molecular weight=1075.997   }}
{{#set: inchi key=InChIKey=DLKSSIHHLYNIKN-QIISWYHFSA-D}}
+
{{#set: common name=(2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA|(2E,7Z,10Z,13Z,16Z)-docosa-2,7,10,13,16-pentaenoyl-CoA}}
{{#set: common name=siroheme}}
+
{{#set: consumed by=RXN-16114}}
{{#set: molecular weight=908.611   }}
+
{{#set: produced by=RXN-16113}}
{{#set: produced by=SIROHEME-FERROCHELAT-RXN}}
+

Latest revision as of 19:10, 21 March 2018

Metabolite CPD-17368

  • smiles:
    • CCCCCC=CCC=CCC=CCC=CCCCC=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=XSIBQUOFLNIVEK-XPBIURITSA-J
  • common name:
    • trans-adre-2-enoyl-CoA
  • molecular weight:
    • 1075.997
  • Synonym(s):
    • (2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA
    • (2E,7Z,10Z,13Z,16Z)-docosa-2,7,10,13,16-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=CCCCC=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.