Difference between revisions of "CPD-237"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18492 CPD-18492] == * smiles: ** CCCCCC=CCC=CCC=CCC=CCC=CCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C...")
 
 
(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-18492 CPD-18492] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-237 CPD-237] ==
 
* smiles:
 
* smiles:
−
** CCCCCC=CCC=CCC=CCC=CCC=CCCC=CC(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-])=O
+
** C1(=C(CC(N)=O)C2(=CC=CC=C(N1)2))
 +
* molecular weight:
 +
** 174.202   
 
* inchi key:
 
* inchi key:
−
** InChIKey=UYOKHWFEUAJFMG-UIYHDVLFSA-J
+
** InChIKey=ZOAMBXDOGPRZLP-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** (2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA
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** indole-3-acetamide
−
* molecular weight:
+
−
** 1102.034   
+
 
* Synonym(s):
 
* Synonym(s):
−
** (2E,6Z,9Z,12Z,15Z,18Z)-tetracosa-2,6,9,12,15,18-hexaenoyl-CoA
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** 1H-indole-3-acetamide
 +
** indoleacetamide
 +
** (indol-3-yl)acetamide
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-17114]]
+
* [[RXNN-404]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-17113]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* PUBCHEM:
+
* METABOLIGHTS : MTBLC16031
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193751 72193751]
+
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C02693 C02693]
 +
* HMDB : HMDB29739
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.386.html 386]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76364 76364]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16031 16031]
−
{{#set: smiles=CCCCCC=CCC=CCC=CCC=CCC=CCCC=CC(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-])=O}}
+
* CAS : 879-37-8
−
{{#set: inchi key=InChIKey=UYOKHWFEUAJFMG-UIYHDVLFSA-J}}
+
* PUBCHEM:
−
{{#set: common name=(2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=397 397]
−
{{#set: molecular weight=1102.034    }}
+
* DRUGBANK : DB08652
−
{{#set: common name=(2E,6Z,9Z,12Z,15Z,18Z)-tetracosa-2,6,9,12,15,18-hexaenoyl-CoA}}
+
{{#set: smiles=C1(=C(CC(N)=O)C2(=CC=CC=C(N1)2))}}
−
{{#set: consumed by=RXN-17114}}
+
{{#set: molecular weight=174.202    }}
−
{{#set: produced by=RXN-17113}}
+
{{#set: inchi key=InChIKey=ZOAMBXDOGPRZLP-UHFFFAOYSA-N}}
 +
{{#set: common name=indole-3-acetamide}}
 +
{{#set: common name=1H-indole-3-acetamide|indoleacetamide|(indol-3-yl)acetamide}}
 +
{{#set: consumed by=RXNN-404}}

Latest revision as of 17:47, 9 January 2019

Metabolite CPD-237

  • smiles:
    • C1(=C(CC(N)=O)C2(=CC=CC=C(N1)2))
  • molecular weight:
    • 174.202
  • inchi key:
    • InChIKey=ZOAMBXDOGPRZLP-UHFFFAOYSA-N
  • common name:
    • indole-3-acetamide
  • Synonym(s):
    • 1H-indole-3-acetamide
    • indoleacetamide
    • (indol-3-yl)acetamide

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • METABOLIGHTS : MTBLC16031
  • LIGAND-CPD:
  • HMDB : HMDB29739
  • CHEMSPIDER:
  • CHEBI:
  • CAS : 879-37-8
  • PUBCHEM:
  • DRUGBANK : DB08652




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