Difference between revisions of "Tiso gene 18184"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ITP ITP] == * smiles: ** C(OP(=O)([O-])OP([O-])(=O)OP([O-])([O-])=O)C1(OC(C(O)C(O)1)N3(C=NC2(C(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10279 CPD-10279] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ITP ITP] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10279 CPD-10279] ==
 
* smiles:
 
* smiles:
−
** C(OP(=O)([O-])OP([O-])(=O)OP([O-])([O-])=O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))
+
** CCCCCCCCCCCCCCCCCCCCCC(=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=HAEJPQIATWHALX-KQYNXXCUSA-J
+
** InChIKey=NDDZLVOCGALPLR-GNSUAQHMSA-J
 
* common name:
 
* common name:
−
** ITP
+
** docosanoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 504.137    
+
** 1086.076    
 
* Synonym(s):
 
* Synonym(s):
−
** inosine triphosphate
+
** behenoyl CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN0-5073]]
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* [[RXN-13297]]
−
* [[ITPP]]
+
−
* [[ITUP]]
+
−
* [[RXN0-6382]]
+
−
* [[ITCY]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[ATIDm]]
+
* [[RXN-13307]]
−
* [[ATID]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-14120]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 132-06-9
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25796439 25796439]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201268 25201268]
−
* HMDB : HMDB00189
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00081 C00081]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61402 61402]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=65059 65059]
−
* BIGG : itp
+
{{#set: smiles=CCCCCCCCCCCCCCCCCCCCCC(=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=C(OP(=O)([O-])OP([O-])(=O)OP([O-])([O-])=O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))}}
+
{{#set: inchi key=InChIKey=NDDZLVOCGALPLR-GNSUAQHMSA-J}}
−
{{#set: inchi key=InChIKey=HAEJPQIATWHALX-KQYNXXCUSA-J}}
+
{{#set: common name=docosanoyl-CoA}}
−
{{#set: common name=ITP}}
+
{{#set: molecular weight=1086.076   }}
−
{{#set: molecular weight=504.137   }}
+
{{#set: common name=behenoyl CoA}}
−
{{#set: common name=inosine triphosphate}}
+
{{#set: consumed by=RXN-13297}}
−
{{#set: consumed by=RXN0-5073|ITPP|ITUP|RXN0-6382|ITCY}}
+
{{#set: produced by=RXN-13307}}
−
{{#set: produced by=ATIDm|ATID}}
+
−
{{#set: consumed or produced by=RXN-14120}}
+

Revision as of 18:58, 18 March 2018

Metabolite CPD-10279

  • smiles:
    • CCCCCCCCCCCCCCCCCCCCCC(=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=NDDZLVOCGALPLR-GNSUAQHMSA-J
  • common name:
    • docosanoyl-CoA
  • molecular weight:
    • 1086.076
  • Synonym(s):
    • behenoyl CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCCCCCCCCCCCCCCC(=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.




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