Difference between revisions of "PWY-2161"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17371 CPD-17371] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCC=CCCCCCO)COP(=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-129 CPD1F-129] == * smiles: ** CC(C=CC=C(C=CC1(C(C)(C)CCCC=1C))C)=CC=CC=C(C=CC=C(C=CC2(=C...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17371 CPD-17371] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-129 CPD1F-129] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCC=CCCCCCO)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-]
+
** 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
 
* inchi key:
 
* inchi key:
−
** InChIKey=HJEGYLSHIKPENR-DAXVLCLXSA-J
+
** InChIKey=OENHQHLEOONYIE-JLTXGRSLSA-N
 
* common name:
 
* common name:
−
** 18-hydroxylinoleoyl-CoA
+
** all-trans-β-carotene
 
* molecular weight:
 
* molecular weight:
−
** 1041.936    
+
** 536.882    
 
* Synonym(s):
 
* Synonym(s):
−
** ω-hydroxylinoleoyl-CoA
+
** β-carotene
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-16118]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN1F-151]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 7235-40-7
 +
* LIPID_MAPS : LMPR01070001
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659898 90659898]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280489 5280489]
 +
* HMDB : HMDB00561
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C02094 C02094]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.4444129.html 4444129]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=84904 84904]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17579 17579]
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCC=CCCCCCO)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-]}}
+
* METABOLIGHTS : MTBLC17579
−
{{#set: inchi key=InChIKey=HJEGYLSHIKPENR-DAXVLCLXSA-J}}
+
{{#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: common name=18-hydroxylinoleoyl-CoA}}
+
{{#set: inchi key=InChIKey=OENHQHLEOONYIE-JLTXGRSLSA-N}}
−
{{#set: molecular weight=1041.936   }}
+
{{#set: common name=all-trans-β-carotene}}
−
{{#set: common name=ω-hydroxylinoleoyl-CoA}}
+
{{#set: molecular weight=536.882   }}
−
{{#set: consumed by=RXN-16118}}
+
{{#set: common name=β-carotene}}
 +
{{#set: produced by=RXN1F-151}}

Revision as of 14:21, 21 March 2018

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
  • inchi key:
    • InChIKey=OENHQHLEOONYIE-JLTXGRSLSA-N
  • common name:
    • all-trans-β-carotene
  • molecular weight:
    • 536.882
  • 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

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




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