Difference between revisions of "CPD-1103"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19151 CPD-19151] == * smiles: ** CCCCCCC=CCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19151 CPD-19151] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1103 CPD-1103] ==
 
* smiles:
 
* smiles:
−
** CCCCCCC=CCC(O)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-]
+
** C1(C=C(O)C=CC=1C(OC2(OC(CO)C(O)C(O)C(O)2))C#N)
 +
* molecular weight:
 +
** 311.291   
 
* inchi key:
 
* inchi key:
−
** InChIKey=AYORDFMYYBNSBO-QCCSJADRSA-J
+
** InChIKey=NVLTYOJHPBMILU-GMDXDWKASA-N
 
* common name:
 
* common name:
−
** (S)-3-hydroxy-(5Z)-dodecenoyl-CoA
+
** taxiphyllin
−
* molecular weight:
+
−
** 959.791   
+
 
* Synonym(s):
 
* Synonym(s):
−
** (S)-3-hydroxy-12:1-Δ5-CoA
+
** (R)-4-hydroxymandelonitrile β-D-glucoside
−
** (S)-3-hydroxy-5-cis-dodecenoyl-CoA
+
** (2R)-(β-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile
 +
** (R)-alpha-(β-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-17798]]
+
* [[RXN-13600]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-17797]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
{{#set: smiles=CCCCCCC=CCC(O)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-]}}
+
* CAS : 21401-21-8
−
{{#set: inchi key=InChIKey=AYORDFMYYBNSBO-QCCSJADRSA-J}}
+
* HMDB : HMDB30704
−
{{#set: common name=(S)-3-hydroxy-(5Z)-dodecenoyl-CoA}}
+
* CHEMSPIDER:
−
{{#set: molecular weight=959.791    }}
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** [http://www.chemspider.com/Chemical-Structure.96890.html 96890]
−
{{#set: common name=(S)-3-hydroxy-12:1-Δ5-CoA|(S)-3-hydroxy-5-cis-dodecenoyl-CoA}}
+
* CHEBI:
−
{{#set: consumed by=RXN-17798}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16267 16267]
−
{{#set: produced by=RXN-17797}}
+
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C01855 C01855]
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=107721 107721]
 +
{{#set: smiles=C1(C=C(O)C=CC=1C(OC2(OC(CO)C(O)C(O)C(O)2))C#N)}}
 +
{{#set: molecular weight=311.291    }}
 +
{{#set: inchi key=InChIKey=NVLTYOJHPBMILU-GMDXDWKASA-N}}
 +
{{#set: common name=taxiphyllin}}
 +
{{#set: common name=(R)-4-hydroxymandelonitrile β-D-glucoside|(2R)-(β-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile|(R)-alpha-(β-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile}}
 +
{{#set: consumed by=RXN-13600}}

Latest revision as of 16:30, 9 January 2019

Metabolite CPD-1103

  • smiles:
    • C1(C=C(O)C=CC=1C(OC2(OC(CO)C(O)C(O)C(O)2))C#N)
  • molecular weight:
    • 311.291
  • inchi key:
    • InChIKey=NVLTYOJHPBMILU-GMDXDWKASA-N
  • common name:
    • taxiphyllin
  • Synonym(s):
    • (R)-4-hydroxymandelonitrile β-D-glucoside
    • (2R)-(β-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile
    • (R)-alpha-(β-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=CPD-1103&oldid=21853"