Difference between revisions of "CPD-1083"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=P-AMINO-BENZOATE P-AMINO-BENZOATE] == * smiles: ** C(=O)([O-])C1(C=CC(=CC=1)N) * common name: *...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1083 CPD-1083] == * smiles: ** CC=C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=P-AMINO-BENZOATE P-AMINO-BENZOATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1083 CPD-1083] ==
 
* smiles:
 
* smiles:
−
** C(=O)([O-])C1(C=CC(=CC=1)N)
+
** CC=C(C)C(=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-]
 
* common name:
 
* common name:
−
** 4-aminobenzoate
+
** (E)-2-methylcrotonoyl-CoA
 
* inchi key:
 
* inchi key:
−
** InChIKey=ALYNCZNDIQEVRV-UHFFFAOYSA-M
+
** InChIKey=PMWATMXOQQZNBX-DKBZLLMOSA-J
 
* molecular weight:
 
* molecular weight:
−
** 136.13    
+
** 845.604    
 
* Synonym(s):
 
* Synonym(s):
−
** para-aminobenzoic acid
+
** methylcrotonyl-CoA
−
** p-aminobenzoic acid
+
** trans-2-methylbut-2-enoyl-CoA
−
** para-aminobenzoate
+
** 2-methylbut-2-enoyl-CoA
−
** p-aminobenzoate
+
** tigloyl-CoA
−
** 4-aminobenzoic acid
+
** tiglyl-CoA
−
** pABA
+
** 2-methyl-crotonyl-CoA
 +
** (E)-2-methylbut-2-enoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[H2PTEROATESYNTH-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[MCDH_2mb2coa]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[ADCLY-RXN]]
+
* [[TIGLYLCOA-HYDROXY-RXN]]
−
* [[RXN-14226]]
+
* [[RXN-14266]]
 
== External links  ==
 
== External links  ==
−
* CAS : 150-13-0
+
* CAS : 6247-62-7
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4876 4876]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266534 45266534]
−
* HMDB : HMDB01392
+
* HMDB : HMDB02054
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00568 C00568]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.4710.html 4710]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17836 17836]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15478 15478]
−
* BIGG : 4abz
+
* LIGAND-CPD:
−
{{#set: smiles=C(=O)([O-])C1(C=CC(=CC=1)N)}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C03345 C03345]
−
{{#set: common name=4-aminobenzoate}}
+
{{#set: smiles=CC=C(C)C(=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-]}}
−
{{#set: inchi key=InChIKey=ALYNCZNDIQEVRV-UHFFFAOYSA-M}}
+
{{#set: common name=(E)-2-methylcrotonoyl-CoA}}
−
{{#set: molecular weight=136.13   }}
+
{{#set: inchi key=InChIKey=PMWATMXOQQZNBX-DKBZLLMOSA-J}}
−
{{#set: common name=para-aminobenzoic acid|p-aminobenzoic acid|para-aminobenzoate|p-aminobenzoate|4-aminobenzoic acid|pABA}}
+
{{#set: molecular weight=845.604   }}
−
{{#set: consumed by=H2PTEROATESYNTH-RXN}}
+
{{#set: common name=methylcrotonyl-CoA|trans-2-methylbut-2-enoyl-CoA|2-methylbut-2-enoyl-CoA|tigloyl-CoA|tiglyl-CoA|2-methyl-crotonyl-CoA|(E)-2-methylbut-2-enoyl-CoA}}
−
{{#set: reversible reaction associated=ADCLY-RXN|RXN-14226}}
+
{{#set: produced by=MCDH_2mb2coa}}
 +
{{#set: reversible reaction associated=TIGLYLCOA-HYDROXY-RXN|RXN-14266}}

Latest revision as of 20:09, 21 March 2018

Metabolite CPD-1083

  • smiles:
    • CC=C(C)C(=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-]
  • common name:
    • (E)-2-methylcrotonoyl-CoA
  • inchi key:
    • InChIKey=PMWATMXOQQZNBX-DKBZLLMOSA-J
  • molecular weight:
    • 845.604
  • Synonym(s):
    • methylcrotonyl-CoA
    • trans-2-methylbut-2-enoyl-CoA
    • 2-methylbut-2-enoyl-CoA
    • tigloyl-CoA
    • tiglyl-CoA
    • 2-methyl-crotonyl-CoA
    • (E)-2-methylbut-2-enoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC=C(C)C(=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.




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