Difference between revisions of "CPD-18494"

From metabolic_network
Jump to: navigation, search
(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-18494 CPD-18494] == * smiles: ** CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C...")
 
(One intermediate revision by the same user not shown)
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-18494 CPD-18494] ==
 
* 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)))
+
** CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)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=HAEJPQIATWHALX-KQYNXXCUSA-J
+
** InChIKey=UIAGUJIMVQPSDP-QOJZHLSOSA-J
 
* common name:
 
* common name:
** ITP
+
** 3-oxo-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 504.137    
+
** 1118.034    
 
* Synonym(s):
 
* Synonym(s):
** inosine triphosphate
+
** 3-oxo-(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 ==
* [[RXN0-5073]]
+
* [[RXN-17116]]
* [[RXN0-6382]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-17115]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-14120]]
 
 
== External links  ==
 
== External links  ==
* CAS : 132-06-9
+
{{#set: smiles=CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)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}}
* PUBCHEM:
+
{{#set: inchi key=InChIKey=UIAGUJIMVQPSDP-QOJZHLSOSA-J}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25796439 25796439]
+
{{#set: common name=3-oxo-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA}}
* HMDB : HMDB00189
+
{{#set: molecular weight=1118.034   }}
* LIGAND-CPD:
+
{{#set: common name=3-oxo-(6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoyl-CoA}}
** [http://www.genome.jp/dbget-bin/www_bget?C00081 C00081]
+
{{#set: consumed by=RXN-17116}}
* CHEBI:
+
{{#set: produced by=RXN-17115}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61402 61402]
+
* BIGG : 33780
+
{{#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=HAEJPQIATWHALX-KQYNXXCUSA-J}}
+
{{#set: common name=ITP}}
+
{{#set: molecular weight=504.137   }}
+
{{#set: common name=inosine triphosphate}}
+
{{#set: consumed by=RXN0-5073|RXN0-6382}}
+
{{#set: reversible reaction associated=RXN-14120}}
+

Latest revision as of 19:52, 21 March 2018

Metabolite CPD-18494

  • smiles:
    • CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)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=UIAGUJIMVQPSDP-QOJZHLSOSA-J
  • common name:
    • 3-oxo-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
  • molecular weight:
    • 1118.034
  • Synonym(s):
    • 3-oxo-(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=CCCC(=O)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.