Difference between revisions of "CPD-19163"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11495 CPD-11495] == * smiles: ** C(=O)([O-])CC1(=CC=CC=C(O)1) * inchi key: ** InChIKey=CCVY...")
 
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11495 CPD-11495] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19163 CPD-19163] ==
 
* smiles:
 
* smiles:
** C(=O)([O-])CC1(=CC=CC=C(O)1)
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** CCCCCCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-]
 +
* molecular weight:
 +
** 1025.937   
 
* inchi key:
 
* inchi key:
** InChIKey=CCVYRRGZDBSHFU-UHFFFAOYSA-M
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** InChIKey=OPMPWWFMNYWBGF-PKYBCSRXSA-J
 
* common name:
 
* common name:
** 2-hydroxyphenylacetate
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** (2E,11Z)-octadecenoyl-CoA
* molecular weight:
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** 151.141   
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* Synonym(s):
 
* Synonym(s):
** 2-hydroxyphenylacetic acid
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** 18:2-Δ2,Δ11-CoA
** benzeneacetic acid, 2-hydroxy-
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** 2-trans,11-cis-octadecenoyl-CoA
** 2-hydroxybenzeneacetic acid
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** acetic acid, (o-hydroxyphenyl)-
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** o-hydroxy phenylacetic acid
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** o-hydroxyphenylacetate
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** o-hydroxyphenylacetic acid
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== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-17785]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-10815]]
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* [[RXN-17784]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* PUBCHEM:
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{{#set: smiles=CCCCCCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-]}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6933325 6933325]
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{{#set: molecular weight=1025.937    }}
* CHEMSPIDER:
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{{#set: inchi key=InChIKey=OPMPWWFMNYWBGF-PKYBCSRXSA-J}}
** [http://www.chemspider.com/Chemical-Structure.5307390.html 5307390]
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{{#set: common name=(2E,11Z)-octadecenoyl-CoA}}
* CHEBI:
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{{#set: common name=18:2-Δ2,Δ11-CoA|2-trans,11-cis-octadecenoyl-CoA}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62423 62423]
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{{#set: consumed by=RXN-17785}}
* LIGAND-CPD:
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{{#set: produced by=RXN-17784}}
** [http://www.genome.jp/dbget-bin/www_bget?C05852 C05852]
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* HMDB : HMDB00669
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{{#set: smiles=C(=O)([O-])CC1(=CC=CC=C(O)1)}}
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{{#set: inchi key=InChIKey=CCVYRRGZDBSHFU-UHFFFAOYSA-M}}
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{{#set: common name=2-hydroxyphenylacetate}}
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{{#set: molecular weight=151.141    }}
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{{#set: common name=2-hydroxyphenylacetic acid|benzeneacetic acid, 2-hydroxy-|2-hydroxybenzeneacetic acid|acetic acid, (o-hydroxyphenyl)-|o-hydroxy phenylacetic acid|o-hydroxyphenylacetate|o-hydroxyphenylacetic acid}}
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{{#set: produced by=RXN-10815}}
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Latest revision as of 16:21, 9 January 2019

Metabolite CPD-19163

  • smiles:
    • CCCCCCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-]
  • molecular weight:
    • 1025.937
  • inchi key:
    • InChIKey=OPMPWWFMNYWBGF-PKYBCSRXSA-J
  • common name:
    • (2E,11Z)-octadecenoyl-CoA
  • Synonym(s):
    • 18:2-Δ2,Δ11-CoA
    • 2-trans,11-cis-octadecenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-" cannot be used as a page name in this wiki.