Difference between revisions of "CPD-35"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=44-DIMETHYL-CHOLESTA-814-24-TRIENOL 44-DIMETHYL-CHOLESTA-814-24-TRIENOL] == * common name: ** 4...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-35 CPD-35] == * common name: ** 4-acetamidobutanoate * inchi key: ** InChIKey=UZTFMUBKZQVKL...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=44-DIMETHYL-CHOLESTA-814-24-TRIENOL 44-DIMETHYL-CHOLESTA-814-24-TRIENOL] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-35 CPD-35] ==
 
* common name:
 
* common name:
** 4,4-dimethyl-cholesta-8,14,24-trienol
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** 4-acetamidobutanoate
 
* inchi key:
 
* inchi key:
** InChIKey=LFQXEZVYNCBVDO-PBJLWWPKSA-N
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** InChIKey=UZTFMUBKZQVKLK-UHFFFAOYSA-M
 
* smiles:
 
* smiles:
** CC(C)=CCCC([CH]1(C2(C)(C(=CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C
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** CC(=O)NCCCC(=O)[O-]
 
* molecular weight:
 
* molecular weight:
** 410.682    
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** 144.15    
 
* Synonym(s):
 
* Synonym(s):
** 17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7, 10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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** N-acetyl-4-aminobutyrate
** 4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol
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** N-acetyl-γ-aminobutyrate
** 4,4-dimethyl-5-α-cholesta-8,14,24-trien-3-β-ol
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN3O-130]]
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* [[RXN-37]]
* [[RXN66-305]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* METABOLIGHTS : MTBLC11951
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C02946 C02946]
 +
* GO-TERMS : (REFMET "4-Acetamidobutanoic acid" NIL midford 3701443689 NIL NIL)
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.5360158.html 5360158]
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=443212 443212]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6991994 6991994]
* HMDB : HMDB01023
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* HMDB : HMDB03681
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C11455 C11455]
 
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17813 17813]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=11951 11951]
{{#set: common name=4,4-dimethyl-cholesta-8,14,24-trienol}}
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{{#set: common name=4-acetamidobutanoate}}
{{#set: inchi key=InChIKey=LFQXEZVYNCBVDO-PBJLWWPKSA-N}}
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{{#set: inchi key=InChIKey=UZTFMUBKZQVKLK-UHFFFAOYSA-M}}
{{#set: smiles=CC(C)=CCCC([CH]1(C2(C)(C(=CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C}}
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{{#set: smiles=CC(=O)NCCCC(=O)[O-]}}
{{#set: molecular weight=410.682   }}
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{{#set: molecular weight=144.15   }}
{{#set: common name=17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7, 10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol|4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol|4,4-dimethyl-5-α-cholesta-8,14,24-trien-3-β-ol}}
+
{{#set: common name=N-acetyl-4-aminobutyrate|N-acetyl-γ-aminobutyrate}}
{{#set: produced by=RXN3O-130|RXN66-305}}
+
{{#set: produced by=RXN-37}}

Latest revision as of 14:20, 15 January 2021

Metabolite CPD-35

  • common name:
    • 4-acetamidobutanoate
  • inchi key:
    • InChIKey=UZTFMUBKZQVKLK-UHFFFAOYSA-M
  • smiles:
    • CC(=O)NCCCC(=O)[O-]
  • molecular weight:
    • 144.15
  • Synonym(s):
    • N-acetyl-4-aminobutyrate
    • N-acetyl-γ-aminobutyrate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • METABOLIGHTS : MTBLC11951
  • LIGAND-CPD:
  • GO-TERMS : (REFMET "4-Acetamidobutanoic acid" NIL midford 3701443689 NIL NIL)
  • CHEMSPIDER:
  • PUBCHEM:
  • HMDB : HMDB03681
  • CHEBI:


Property "Smiles" (as page type) with input value "CC(=O)NCCCC(=O)[O-" contains invalid characters or is incomplete and therefore can cause unexpected results during a query or annotation process.