Difference between revisions of "CPD1F-119"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-730 CPD-730] == * smiles: ** CCC=CCC1(C(=O)CCC(CCCCCCCC([O-])=O)1) * common name: ** 3-oxo-...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-119 CPD1F-119] == * smiles: ** CC(=CC=CC=C(C=CC=C(C=CC1(=C(CC(CC1(C)C)O)C))C)C)C=CC=C(C=C...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-730 CPD-730] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-119 CPD1F-119] ==
 
* smiles:
 
* smiles:
−
** CCC=CCC1(C(=O)CCC(CCCCCCCC([O-])=O)1)
+
** CC(=CC=CC=C(C=CC=C(C=CC1(=C(CC(CC1(C)C)O)C))C)C)C=CC=C(C=CC2(C(=CC(CC2(C)C)O)C))C
 
* common name:
 
* common name:
−
** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoate
+
** lutein
 
* inchi key:
 
* inchi key:
−
** InChIKey=BZXZFDKIRZBJEP-CLTKARDFSA-M
+
** InChIKey=KBPHJBAIARWVSC-CFWGZHMLSA-N
 
* molecular weight:
 
* molecular weight:
−
** 293.425    
+
** 568.881    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoic acid
+
** Xanthophyll
−
** oxopentenyl-cyclopentane-octanoic acid
+
−
** 8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate
+
−
** OPC8
+
−
** OPC-8:0
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-10695]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-5962]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* LIPID_MAPS : LMFA02010006
+
* DRUGBANK : DB00137
 +
* LIPID_MAPS : LMPR01070274
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244083 25244083]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245095 25245095]
−
* HMDB : HMDB36217
+
* HMDB : HMDB03233
−
* CHEBI:
+
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=49265 49265]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C04780 C04780]
+
** [http://www.genome.jp/dbget-bin/www_bget?C08601 C08601]
−
{{#set: smiles=CCC=CCC1(C(=O)CCC(CCCCCCCC([O-])=O)1)}}
+
* CHEBI:
−
{{#set: common name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoate}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28838 28838]
−
{{#set: inchi key=InChIKey=BZXZFDKIRZBJEP-CLTKARDFSA-M}}
+
* METABOLIGHTS : MTBLC28838
−
{{#set: molecular weight=293.425   }}
+
{{#set: smiles=CC(=CC=CC=C(C=CC=C(C=CC1(=C(CC(CC1(C)C)O)C))C)C)C=CC=C(C=CC2(C(=CC(CC2(C)C)O)C))C}}
−
{{#set: common name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoic acid|oxopentenyl-cyclopentane-octanoic acid|8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate|OPC8|OPC-8:0}}
+
{{#set: common name=lutein}}
−
{{#set: consumed by=RXN-10695}}
+
{{#set: inchi key=InChIKey=KBPHJBAIARWVSC-CFWGZHMLSA-N}}
 +
{{#set: molecular weight=568.881   }}
 +
{{#set: common name=Xanthophyll}}
 +
{{#set: produced by=RXN-5962}}

Latest revision as of 20:35, 21 March 2018

Metabolite CPD1F-119

  • smiles:
    • CC(=CC=CC=C(C=CC=C(C=CC1(=C(CC(CC1(C)C)O)C))C)C)C=CC=C(C=CC2(C(=CC(CC2(C)C)O)C))C
  • common name:
    • lutein
  • inchi key:
    • InChIKey=KBPHJBAIARWVSC-CFWGZHMLSA-N
  • molecular weight:
    • 568.881
  • Synonym(s):
    • Xanthophyll

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • DRUGBANK : DB00137
  • LIPID_MAPS : LMPR01070274
  • PUBCHEM:
  • HMDB : HMDB03233
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC28838




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