Difference between revisions of "CPD1F-129"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=5-HYDROXYINDOLE_ACETATE 5-HYDROXYINDOLE_ACETATE] == * smiles: ** C1(C(O)=CC2(=C(C=1)NC=C2CC(=O)...")
 
 
(3 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=5-HYDROXYINDOLE_ACETATE 5-HYDROXYINDOLE_ACETATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-129 CPD1F-129] ==
 
* smiles:
 
* smiles:
** C1(C(O)=CC2(=C(C=1)NC=C2CC(=O)[O-]))
+
** CC(C=CC=C(C=CC1(C(C)(C)CCCC=1C))C)=CC=CC=C(C=CC=C(C=CC2(=C(CCCC(C)(C)2)C))C)C
 +
* molecular weight:
 +
** 536.882   
 
* inchi key:
 
* inchi key:
** InChIKey=DUUGKQCEGZLZNO-UHFFFAOYSA-M
+
** InChIKey=OENHQHLEOONYIE-JLTXGRSLSA-N
 
* common name:
 
* common name:
** 5-hydroxyindole acetate
+
** all-trans-β-carotene
* molecular weight:
+
** 190.178   
+
 
* Synonym(s):
 
* Synonym(s):
** 5-hydroxyindoleacetic acid
+
** β-carotene
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN1F-152]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-10780]]
+
* [[RXN1F-151]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-13641]]
 
== External links  ==
 
== External links  ==
* CAS : 54-16-0
+
* METABOLIGHTS : MTBLC17579
* PUBCHEM:
+
* CAS : 7235-40-7
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3772821 3772821]
+
* HMDB : HMDB00561
* HMDB : HMDB00763
+
* LIPID_MAPS : LMPR01070001
* LIGAND-CPD:
+
** [http://www.genome.jp/dbget-bin/www_bget?C05635 C05635]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.3001356.html 3001356]
+
** [http://www.chemspider.com/Chemical-Structure.4444129.html 4444129]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62622 62622]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17579 17579]
{{#set: smiles=C1(C(O)=CC2(=C(C=1)NC=C2CC(=O)[O-]))}}
+
* LIGAND-CPD:
{{#set: inchi key=InChIKey=DUUGKQCEGZLZNO-UHFFFAOYSA-M}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C02094 C02094]
{{#set: common name=5-hydroxyindole acetate}}
+
* PUBCHEM:
{{#set: molecular weight=190.178    }}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280489 5280489]
{{#set: common name=5-hydroxyindoleacetic acid}}
+
{{#set: smiles=CC(C=CC=C(C=CC1(C(C)(C)CCCC=1C))C)=CC=CC=C(C=CC=C(C=CC2(=C(CCCC(C)(C)2)C))C)C}}
{{#set: produced by=RXN-10780}}
+
{{#set: molecular weight=536.882    }}
 +
{{#set: inchi key=InChIKey=OENHQHLEOONYIE-JLTXGRSLSA-N}}
 +
{{#set: common name=all-trans-β-carotene}}
 +
{{#set: common name=β-carotene}}
 +
{{#set: consumed by=RXN1F-152}}
 +
{{#set: produced by=RXN1F-151}}
 +
{{#set: reversible reaction associated=RXN-13641}}

Latest revision as of 15:46, 9 January 2019

Metabolite CPD1F-129

  • smiles:
    • CC(C=CC=C(C=CC1(C(C)(C)CCCC=1C))C)=CC=CC=C(C=CC=C(C=CC2(=C(CCCC(C)(C)2)C))C)C
  • molecular weight:
    • 536.882
  • inchi key:
    • InChIKey=OENHQHLEOONYIE-JLTXGRSLSA-N
  • common name:
    • all-trans-β-carotene
  • Synonym(s):
    • β-carotene

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • METABOLIGHTS : MTBLC17579
  • CAS : 7235-40-7
  • HMDB : HMDB00561
  • LIPID_MAPS : LMPR01070001
  • CHEMSPIDER:
  • CHEBI:
  • LIGAND-CPD:
  • PUBCHEM: