Difference between revisions of "PANTOTHENATE"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-650 CPD-650] == * smiles: ** CC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PANTOTHENATE PANTOTHENATE] == * smiles: ** CC(C)(CO)C(O)C(=O)NCCC(=O)[O-] * common name: ** (R)...")
 
(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=CPD-650 CPD-650] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PANTOTHENATE PANTOTHENATE] ==
 
* smiles:
 
* smiles:
−
** CC(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)O
+
** CC(C)(CO)C(O)C(=O)NCCC(=O)[O-]
−
* inchi key:
+
−
** InChIKey=QHHKKMYHDBRONY-WZZMXTMRSA-J
+
 
* common name:
 
* common name:
−
** (3R)-3-hydroxybutanoyl-CoA
+
** (R)-pantothenate
 +
* inchi key:
 +
** InChIKey=GHOKWGTUZJEAQD-ZETCQYMHSA-M
 
* molecular weight:
 
* molecular weight:
−
** 849.593    
+
** 218.229    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-OH-butyryl-CoA
+
** vitamin B5
−
** OH-butyryl-CoA
+
** (R)-pantothenic acid
−
** β-hydroxybutyryl-S-CoA
+
** D-pantothenic acid
−
** D-3-hydroxybutyryl-CoA
+
−
** hydroxy-butyryl-CoA
+
−
** β-hydroxybutyryl-CoA
+
−
** 3-hydroxybutyryl-CoA
+
−
** (3R)-3-Hydroxybutanoyl-CoA
+
−
** 3-hydroxybutanoyl-CoA
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[PANTOTHENATE-KIN-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-5901]]
+
* [[PANTOATE-BETA-ALANINE-LIG-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 79-83-4
 +
* Wikipedia : Vitamin_B5
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266552 45266552]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=167945 167945]
−
* UM-BBD-CPD : c0030
+
* HMDB : HMDB00210
−
* CHEBI:
+
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57315 57315]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C03561 C03561]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00864 C00864]
−
* HMDB : HMDB01166
+
* CHEMSPIDER:
−
{{#set: smiles=CC(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)O}}
+
** [http://www.chemspider.com/Chemical-Structure.146912.html 146912]
−
{{#set: inchi key=InChIKey=QHHKKMYHDBRONY-WZZMXTMRSA-J}}
+
* CHEBI:
−
{{#set: common name=(3R)-3-hydroxybutanoyl-CoA}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29032 29032]
−
{{#set: molecular weight=849.593   }}
+
* BIGG : pnto__R
−
{{#set: common name=3-OH-butyryl-CoA|OH-butyryl-CoA|β-hydroxybutyryl-S-CoA|D-3-hydroxybutyryl-CoA|hydroxy-butyryl-CoA|β-hydroxybutyryl-CoA|3-hydroxybutyryl-CoA|(3R)-3-Hydroxybutanoyl-CoA|3-hydroxybutanoyl-CoA}}
+
{{#set: smiles=CC(C)(CO)C(O)C(=O)NCCC(=O)[O-]}}
−
{{#set: produced by=RXN-5901}}
+
{{#set: common name=(R)-pantothenate}}
 +
{{#set: inchi key=InChIKey=GHOKWGTUZJEAQD-ZETCQYMHSA-M}}
 +
{{#set: molecular weight=218.229   }}
 +
{{#set: common name=vitamin B5|(R)-pantothenic acid|D-pantothenic acid}}
 +
{{#set: consumed by=PANTOTHENATE-KIN-RXN}}
 +
{{#set: produced by=PANTOATE-BETA-ALANINE-LIG-RXN}}

Latest revision as of 20:10, 21 March 2018

Metabolite PANTOTHENATE

  • smiles:
    • CC(C)(CO)C(O)C(=O)NCCC(=O)[O-]
  • common name:
    • (R)-pantothenate
  • inchi key:
    • InChIKey=GHOKWGTUZJEAQD-ZETCQYMHSA-M
  • molecular weight:
    • 218.229
  • Synonym(s):
    • vitamin B5
    • (R)-pantothenic acid
    • D-pantothenic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 79-83-4
  • Wikipedia : Vitamin_B5
  • PUBCHEM:
  • HMDB : HMDB00210
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : pnto__R
"CC(C)(CO)C(O)C(=O)NCCC(=O)[O-" cannot be used as a page name in this wiki.




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=PANTOTHENATE&oldid=46578"