Difference between revisions of "CPD-9446"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-132 CPD1F-132] == * smiles: ** C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C([O-])=O)CCCC(C)2[CH]3CC4)))...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9446 CPD-9446] == * smiles: ** C(O)C1(OCC(O)C(O)C(O)1) * common name: ** 1,5-anhydro-D-mann...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-132 CPD1F-132] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9446 CPD-9446] ==
 
* smiles:
 
* smiles:
** C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C([O-])=O)CCCC(C)2[CH]3CC4))))
+
** C(O)C1(OCC(O)C(O)C(O)1)
* inchi key:
+
** InChIKey=NIKHGUQULKYIGE-OTCXFQBHSA-M
+
 
* common name:
 
* common name:
** ent-kaur-16-en-19-oate
+
** 1,5-anhydro-D-mannitol
 +
* inchi key:
 +
** InChIKey=MPCAJMNYNOGXPB-KVTDHHQDSA-N
 
* molecular weight:
 
* molecular weight:
** 301.448    
+
** 164.158    
 
* Synonym(s):
 
* Synonym(s):
** ent-kaurenoate
+
** 1,5-anhydromannitol
** ent-kaurenoic acid
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[1.14.13.79-RXN]]
+
* [[RXN-13064]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-7580]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* LIPID_MAPS : LMPR0104130004
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25200785 25200785]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=445184 445184]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.392897.html 392897]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57297 57297]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=49182 49182]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C11874 C11874]
+
** [http://www.genome.jp/dbget-bin/www_bget?C16538 C16538]
{{#set: smiles=C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C([O-])=O)CCCC(C)2[CH]3CC4))))}}
+
{{#set: smiles=C(O)C1(OCC(O)C(O)C(O)1)}}
{{#set: inchi key=InChIKey=NIKHGUQULKYIGE-OTCXFQBHSA-M}}
+
{{#set: common name=1,5-anhydro-D-mannitol}}
{{#set: common name=ent-kaur-16-en-19-oate}}
+
{{#set: inchi key=InChIKey=MPCAJMNYNOGXPB-KVTDHHQDSA-N}}
{{#set: molecular weight=301.448   }}
+
{{#set: molecular weight=164.158   }}
{{#set: common name=ent-kaurenoate|ent-kaurenoic acid}}
+
{{#set: common name=1,5-anhydromannitol}}
{{#set: consumed by=1.14.13.79-RXN}}
+
{{#set: consumed by=RXN-13064}}
{{#set: produced by=RXN-7580}}
+

Latest revision as of 20:04, 21 March 2018

Metabolite CPD-9446

  • smiles:
    • C(O)C1(OCC(O)C(O)C(O)1)
  • common name:
    • 1,5-anhydro-D-mannitol
  • inchi key:
    • InChIKey=MPCAJMNYNOGXPB-KVTDHHQDSA-N
  • molecular weight:
    • 164.158
  • Synonym(s):
    • 1,5-anhydromannitol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links