Difference between revisions of "VANILLIN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BR- BR-] == * smiles: ** [Br-] * inchi key: ** InChIKey=CPELXLSAUQHCOX-UHFFFAOYSA-M * common na...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-178 CPD-178] == * smiles: ** C1(O)(C(O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BR- BR-] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-178 CPD-178] ==
 
* smiles:
 
* smiles:
** [Br-]
+
** C1(O)(C(O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)
* inchi key:
+
** InChIKey=CPELXLSAUQHCOX-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
** bromide
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** D-myo-inositol (3,4,5,6)-tetrakisphosphate
 +
* inchi key:
 +
** InChIKey=MRVYFOANPDTYBY-UZAAGFTCSA-F
 
* molecular weight:
 
* molecular weight:
** 79.904    
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** 492.013    
 
* Synonym(s):
 
* Synonym(s):
** Br-
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** Ins(3,4,5,6)P4
** bromide ion
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** Inositol 3,4,5,6-tetrakisphosphate
 +
** 1D-myo-inositol 3,4,5,6-tetrakisphosphate
 +
** I(3,4,5,6)P4
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[TransportSeed_BR-]]
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* [[2.7.1.134-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[TransportSeed_BR-]]
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* [[RXN-10955]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[ExchangeSeed_BR-]]
 
 
== External links  ==
 
== External links  ==
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=259 259]
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.254.html 254]
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15858 15858]
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C01324 C01324]
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** [http://www.genome.jp/dbget-bin/www_bget?C04520 C04520]
* HMDB : HMDB02500
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* HMDB : HMDB03848
{{#set: smiles=[Br-]}}
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* CHEBI:
{{#set: inchi key=InChIKey=CPELXLSAUQHCOX-UHFFFAOYSA-M}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57539 57539]
{{#set: common name=bromide}}
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* METABOLIGHTS : MTBLC57539
{{#set: molecular weight=79.904   }}
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* PUBCHEM:
{{#set: common name=Br-|bromide ion}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201333 25201333]
{{#set: consumed by=TransportSeed_BR-}}
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{{#set: smiles=C1(O)(C(O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)}}
{{#set: produced by=TransportSeed_BR-}}
+
{{#set: common name=D-myo-inositol (3,4,5,6)-tetrakisphosphate}}
{{#set: reversible reaction associated=ExchangeSeed_BR-}}
+
{{#set: inchi key=InChIKey=MRVYFOANPDTYBY-UZAAGFTCSA-F}}
 +
{{#set: molecular weight=492.013   }}
 +
{{#set: common name=Ins(3,4,5,6)P4|Inositol 3,4,5,6-tetrakisphosphate|1D-myo-inositol 3,4,5,6-tetrakisphosphate|I(3,4,5,6)P4}}
 +
{{#set: consumed by=2.7.1.134-RXN}}
 +
{{#set: produced by=RXN-10955}}

Revision as of 15:57, 21 March 2018

Metabolite CPD-178

  • smiles:
    • C1(O)(C(O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)
  • common name:
    • D-myo-inositol (3,4,5,6)-tetrakisphosphate
  • inchi key:
    • InChIKey=MRVYFOANPDTYBY-UZAAGFTCSA-F
  • molecular weight:
    • 492.013
  • Synonym(s):
    • Ins(3,4,5,6)P4
    • Inositol 3,4,5,6-tetrakisphosphate
    • 1D-myo-inositol 3,4,5,6-tetrakisphosphate
    • I(3,4,5,6)P4

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIGAND-CPD:
  • HMDB : HMDB03848
  • CHEBI:
  • METABOLIGHTS : MTBLC57539
  • PUBCHEM:
"C1(O)(C(O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)" cannot be used as a page name in this wiki.