Difference between revisions of "CPD-10055"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETALD ACETALD] == * smiles: ** C[CH]=O * inchi key: ** InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N *...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10055 CPD-10055] == * smiles: ** C=C(C1(CC(C(CC1)(O)C)O))C * common name: ** (1R,2R,4S)-lim...")
 
(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=ACETALD ACETALD] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10055 CPD-10055] ==
 
* smiles:
 
* smiles:
** C[CH]=O
+
** C=C(C1(CC(C(CC1)(O)C)O))C
* inchi key:
+
** InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
** acetaldehyde
+
** (1R,2R,4S)-limonene-1,2-diol
 +
* inchi key:
 +
** InChIKey=WKZWTZTZWGWEGE-IVZWLZJFSA-N
 
* molecular weight:
 
* molecular weight:
** 44.053    
+
** 170.251    
 
* Synonym(s):
 
* Synonym(s):
** acetic aldehyde
+
** (1S,2S,4R)-menth-8-ene-1,2-diol
** ethanal
+
** aldehyde
+
** ethyl aldehyde
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ALCDHi]]
 
* [[ALCDHmi]]
 
* [[ALDDH]]
 
* [[ALDDHm]]
 
* [[ALCDH_nadp_hi]]
 
* [[ALCDH_nadp_i]]
 
* [[RXN0-3962]]
 
* [[RXN66-3]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[THREONINE-ALDOLASE-RXN]]
+
* [[RXN-9413]]
* [[RXN0-5234]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[ALCOHOL-DEHYDROG-RXN]]
 
* [[ETHANOLAMINE-PHOSPHATE-PHOSPHO-LYASE-RXN]]
 
* [[ACETALD-DEHYDROG-RXN]]
 
* [[RXN-12484]]
 
 
== External links  ==
 
== External links  ==
* UM-BBD-CPD : c0160
 
* CAS : 75-07-0
 
* METABOLIGHTS : MTBLC15343
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=177 177]
 
* HMDB : HMDB00990
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00084 C00084]
+
** [http://www.genome.jp/dbget-bin/www_bget?C19082 C19082]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.172.html 172]
+
** [http://www.chemspider.com/Chemical-Structure.9392549.html 9392549]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15343 15343]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=50244 50244]
* BIGG : acald
+
* PUBCHEM:
{{#set: smiles=C[CH]=O}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=11217495 11217495]
{{#set: inchi key=InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N}}
+
{{#set: smiles=C=C(C1(CC(C(CC1)(O)C)O))C}}
{{#set: common name=acetaldehyde}}
+
{{#set: common name=(1R,2R,4S)-limonene-1,2-diol}}
{{#set: molecular weight=44.053   }}
+
{{#set: inchi key=InChIKey=WKZWTZTZWGWEGE-IVZWLZJFSA-N}}
{{#set: common name=acetic aldehyde|ethanal|aldehyde|ethyl aldehyde}}
+
{{#set: molecular weight=170.251   }}
{{#set: consumed by=ALCDHi|ALCDHmi|ALDDH|ALDDHm|ALCDH_nadp_hi|ALCDH_nadp_i|RXN0-3962|RXN66-3}}
+
{{#set: common name=(1S,2S,4R)-menth-8-ene-1,2-diol}}
{{#set: produced by=THREONINE-ALDOLASE-RXN|RXN0-5234}}
+
{{#set: produced by=RXN-9413}}
{{#set: reversible reaction associated=ALCOHOL-DEHYDROG-RXN|ETHANOLAMINE-PHOSPHATE-PHOSPHO-LYASE-RXN|ACETALD-DEHYDROG-RXN|RXN-12484}}
+

Latest revision as of 20:33, 21 March 2018

Metabolite CPD-10055

  • smiles:
    • C=C(C1(CC(C(CC1)(O)C)O))C
  • common name:
    • (1R,2R,4S)-limonene-1,2-diol
  • inchi key:
    • InChIKey=WKZWTZTZWGWEGE-IVZWLZJFSA-N
  • molecular weight:
    • 170.251
  • Synonym(s):
    • (1S,2S,4R)-menth-8-ene-1,2-diol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links