Difference between revisions of "CPD-14404"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHYTOL PHYTOL] == * smiles: ** CC(C)CCCC(C)CCCC(C)CCCC(C)=CCO * inchi key: ** InChIKey=BOTWFXYS...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12647 CPD-12647] == * smiles: ** CCC=CCC=CCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHYTOL PHYTOL] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12647 CPD-12647] ==
 
* smiles:
 
* smiles:
** CC(C)CCCC(C)CCCC(C)CCCC(C)=CCO
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** CCC=CCC=CCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(OP(=O)([O-])[O-])3)
* inchi key:
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** InChIKey=BOTWFXYSPFMFNR-PYDDKJGSSA-N
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* common name:
 
* common name:
** phytol
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** (11Z,14Z,17Z)-icosa-11,14,17-trienoyl-CoA
 +
* inchi key:
 +
** InChIKey=BVBYYRVLCDMZNJ-SKYNJMBCSA-J
 
* molecular weight:
 
* molecular weight:
** 296.535    
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** 1051.975    
 
* Synonym(s):
 
* Synonym(s):
** trans-phytol
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** (11Z,14Z,17Z)-eicosatrienoyl-CoA
** (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol
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** 20:3Δ11,14,17
 +
** (11Z,14Z,17Z)-icosatrienoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-7683]]
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* [[RXN-16100]]
* [[RXN66-478]]
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== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12997]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* LIPID_MAPS : LMPR0104010002
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280435 5280435]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=49859609 49859609]
* HMDB : HMDB02019
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{{#set: smiles=CCC=CCC=CCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(OP(=O)([O-])[O-])3)}}
* LIGAND-CPD:
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{{#set: common name=(11Z,14Z,17Z)-icosa-11,14,17-trienoyl-CoA}}
** [http://www.genome.jp/dbget-bin/www_bget?C01389 C01389]
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{{#set: inchi key=InChIKey=BVBYYRVLCDMZNJ-SKYNJMBCSA-J}}
* CHEMSPIDER:
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{{#set: molecular weight=1051.975   }}
** [http://www.chemspider.com/Chemical-Structure.4444094.html 4444094]
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{{#set: common name=(11Z,14Z,17Z)-eicosatrienoyl-CoA|20:3Δ11,14,17|(11Z,14Z,17Z)-icosatrienoyl-CoA}}
* CHEBI:
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{{#set: consumed by=RXN-16100}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17327 17327]
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{{#set: produced by=RXN-12997}}
* METABOLIGHTS : MTBLC17327
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{{#set: smiles=CC(C)CCCC(C)CCCC(C)CCCC(C)=CCO}}
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{{#set: inchi key=InChIKey=BOTWFXYSPFMFNR-PYDDKJGSSA-N}}
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{{#set: common name=phytol}}
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{{#set: molecular weight=296.535   }}
+
{{#set: common name=trans-phytol|(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol}}
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{{#set: consumed by=RXN-7683|RXN66-478}}
+

Revision as of 14:47, 21 March 2018

Metabolite CPD-12647

  • smiles:
    • CCC=CCC=CCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(OP(=O)([O-])[O-])3)
  • common name:
    • (11Z,14Z,17Z)-icosa-11,14,17-trienoyl-CoA
  • inchi key:
    • InChIKey=BVBYYRVLCDMZNJ-SKYNJMBCSA-J
  • molecular weight:
    • 1051.975
  • Synonym(s):
    • (11Z,14Z,17Z)-eicosatrienoyl-CoA
    • 20:3Δ11,14,17
    • (11Z,14Z,17Z)-icosatrienoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCC=CCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(OP(=O)([O-])[O-])3)" cannot be used as a page name in this wiki.