Difference between revisions of "RXN0-5398"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-713 CPD-713] == * smiles: ** CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(O)CCC(C)1[CH...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INOSITOL-1-4-BISPHOSPHATE INOSITOL-1-4-BISPHOSPHATE] == * smiles: ** C1(O)(C(O)C(OP(=O)([O-])[O...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-713 CPD-713] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INOSITOL-1-4-BISPHOSPHATE INOSITOL-1-4-BISPHOSPHATE] ==
 
* smiles:
 
* smiles:
** CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))
+
** C1(O)(C(O)C(OP(=O)([O-])[O-])C(O)C(O)C(OP([O-])([O-])=O)1)
 
* inchi key:
 
* inchi key:
** InChIKey=NBJZGNFIZZWBOJ-JSHJXQBASA-N
+
** InChIKey=PELZSPZCXGTUMR-RTPHHQFDSA-J
 
* common name:
 
* common name:
** 6-oxocampestanol
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** D-myo-inositol (1,4)-bisphosphate
 
* molecular weight:
 
* molecular weight:
** 416.686    
+
** 336.085    
 
* Synonym(s):
 
* Synonym(s):
** oxocampestanol
+
** Ins(1,4)P2
 +
** myo-inositol (1,4)-bisphosphate
 +
** inositol (1,4)-bisphosphate
 +
** I(1,4)P2
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-715]]
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* [[3.1.3.57-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-13334]]
 +
* [[3.1.3.56-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 47055-78-7
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25200917 25200917]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203530 25203530]
 +
* HMDB : HMDB00968
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C15789 C15789]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01220 C01220]
{{#set: smiles=CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
+
* CHEBI:
{{#set: inchi key=InChIKey=NBJZGNFIZZWBOJ-JSHJXQBASA-N}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58282 58282]
{{#set: common name=6-oxocampestanol}}
+
* METABOLIGHTS : MTBLC58282
{{#set: molecular weight=416.686   }}
+
{{#set: smiles=C1(O)(C(O)C(OP(=O)([O-])[O-])C(O)C(O)C(OP([O-])([O-])=O)1)}}
{{#set: common name=oxocampestanol}}
+
{{#set: inchi key=InChIKey=PELZSPZCXGTUMR-RTPHHQFDSA-J}}
{{#set: consumed by=RXN-715}}
+
{{#set: common name=D-myo-inositol (1,4)-bisphosphate}}
 +
{{#set: molecular weight=336.085   }}
 +
{{#set: common name=Ins(1,4)P2|myo-inositol (1,4)-bisphosphate|inositol (1,4)-bisphosphate|I(1,4)P2}}
 +
{{#set: consumed by=3.1.3.57-RXN}}
 +
{{#set: produced by=RXN-13334|3.1.3.56-RXN}}

Revision as of 21:41, 17 March 2018

Metabolite INOSITOL-1-4-BISPHOSPHATE

  • smiles:
    • C1(O)(C(O)C(OP(=O)([O-])[O-])C(O)C(O)C(OP([O-])([O-])=O)1)
  • inchi key:
    • InChIKey=PELZSPZCXGTUMR-RTPHHQFDSA-J
  • common name:
    • D-myo-inositol (1,4)-bisphosphate
  • molecular weight:
    • 336.085
  • Synonym(s):
    • Ins(1,4)P2
    • myo-inositol (1,4)-bisphosphate
    • inositol (1,4)-bisphosphate
    • I(1,4)P2

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 47055-78-7
  • PUBCHEM:
  • HMDB : HMDB00968
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC58282
"C1(O)(C(O)C(OP(=O)([O-])[O-])C(O)C(O)C(OP([O-])([O-])=O)1)" cannot be used as a page name in this wiki.