Difference between revisions of "CPD-17045"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INOSITOL-1-4-5-TRISPHOSPHATE INOSITOL-1-4-5-TRISPHOSPHATE] == * smiles: ** C1(O)(C(OP([O-])([O-...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17045 CPD-17045] == * smiles: ** C(O)C2(O)(NC(=O)C(O)(CC1(=CC=CC=C1))NC(=O)2) * inchi key:...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INOSITOL-1-4-5-TRISPHOSPHATE INOSITOL-1-4-5-TRISPHOSPHATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17045 CPD-17045] ==
 
* smiles:
 
* smiles:
−
** C1(O)(C(OP([O-])([O-])=O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)
+
** C(O)C2(O)(NC(=O)C(O)(CC1(=CC=CC=C1))NC(=O)2)
 
* inchi key:
 
* inchi key:
−
** InChIKey=MMWCIQZXVOZEGG-XJTPDSDZSA-H
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** InChIKey=PXYPZMRMTKVYSM-VXGBXAGGSA-N
 
* common name:
 
* common name:
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** D-myo-inositol (1,4,5)-trisphosphate
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** 3-benzyl-3,6-dihydroxy-6-(hydroxymethyl)-diketopiperazine
 
* molecular weight:
 
* molecular weight:
−
** 414.049    
+
** 266.253    
 
* Synonym(s):
 
* Synonym(s):
−
** inositol (1,4,5)-trisphosphate
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** 3-benzyl-3,6-dihydroxy-6-(hydroxymethyl)-DKP
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** 1D-myo-inositol (1,4,5)-trisphosphate
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** 3-benzyl-3,6-dihydroxy-6-(hydroxymethyl)piperazine-2,5-dione
−
** Ins(1,4,5)P3
+
−
** I(1,4,5)P3
+
−
** InsP3
+
−
** IP3
+
−
** triphosphoinositol
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[3.1.3.56-RXN]]
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* [[RXN-15680]]
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* [[2.7.1.127-RXN]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[3.1.4.11-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 85166-31-0
 
−
* CAS : 88269-39-0
 
−
* Wikipedia : Inositol_triphosphate
 
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21761708 21761708]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659074 90659074]
−
* HMDB : HMDB01498
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{{#set: smiles=C(O)C2(O)(NC(=O)C(O)(CC1(=CC=CC=C1))NC(=O)2)}}
−
* LIGAND-CPD:
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{{#set: inchi key=InChIKey=PXYPZMRMTKVYSM-VXGBXAGGSA-N}}
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** [http://www.genome.jp/dbget-bin/www_bget?C01245 C01245]
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{{#set: common name=3-benzyl-3,6-dihydroxy-6-(hydroxymethyl)-diketopiperazine}}
−
* CHEMSPIDER:
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{{#set: molecular weight=266.253   }}
−
** [http://www.chemspider.com/Chemical-Structure.10375590.html 10375590]
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{{#set: common name=3-benzyl-3,6-dihydroxy-6-(hydroxymethyl)-DKP|3-benzyl-3,6-dihydroxy-6-(hydroxymethyl)piperazine-2,5-dione}}
−
* CHEBI:
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{{#set: consumed by=RXN-15680}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=203600 203600]
+
−
* METABOLIGHTS : MTBLC203600
+
−
{{#set: smiles=C1(O)(C(OP([O-])([O-])=O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)}}
+
−
{{#set: inchi key=InChIKey=MMWCIQZXVOZEGG-XJTPDSDZSA-H}}
+
−
{{#set: common name=D-myo-inositol (1,4,5)-trisphosphate}}
+
−
{{#set: molecular weight=414.049   }}
+
−
{{#set: common name=inositol (1,4,5)-trisphosphate|1D-myo-inositol (1,4,5)-trisphosphate|Ins(1,4,5)P3|I(1,4,5)P3|InsP3|IP3|triphosphoinositol}}
+
−
{{#set: consumed by=3.1.3.56-RXN|2.7.1.127-RXN}}
+
−
{{#set: produced by=3.1.4.11-RXN}}
+

Latest revision as of 19:14, 21 March 2018

Metabolite CPD-17045

  • smiles:
    • C(O)C2(O)(NC(=O)C(O)(CC1(=CC=CC=C1))NC(=O)2)
  • inchi key:
    • InChIKey=PXYPZMRMTKVYSM-VXGBXAGGSA-N
  • common name:
    • 3-benzyl-3,6-dihydroxy-6-(hydroxymethyl)-diketopiperazine
  • molecular weight:
    • 266.253
  • Synonym(s):
    • 3-benzyl-3,6-dihydroxy-6-(hydroxymethyl)-DKP
    • 3-benzyl-3,6-dihydroxy-6-(hydroxymethyl)piperazine-2,5-dione

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=CPD-17045&oldid=25507"