Difference between revisions of "CROTONYL-COA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CROTONYL-COA CROTONYL-COA] == * smiles: ** CC=CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP(...")
 
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** CC=CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O
 
** CC=CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O
−
* common name:
 
−
** crotonyl-CoA
 
−
* inchi key:
 
−
** InChIKey=KFWWCMJSYSSPSK-BOGFJHSMSA-J
 
 
* molecular weight:
 
* molecular weight:
 
** 831.577     
 
** 831.577     
 +
* inchi key:
 +
** InChIKey=KFWWCMJSYSSPSK-BOGFJHSMSA-J
 +
* common name:
 +
** crotonyl-CoA
 
* Synonym(s):
 
* Synonym(s):
 
** crotonyl-S-CoA
 
** crotonyl-S-CoA
Line 20: Line 20:
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12558]]
 
−
* [[BUTYRYL-COA-DEHYDROGENASE-RXN]]
 
 
* [[ACOAR1h]]
 
* [[ACOAR1h]]
 +
* [[BUTYRYL-COA-DEHYDROGENASE-RXN]]
 +
* [[RXN-12558]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
* [[ACOA40OR]]
 
* [[ACOA40OR]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[GLUTACONYL-COA-DECARBOXYLASE-RXN]]
 
−
* [[RXN-11667]]
 
 
* [[HBCHL]]
 
* [[HBCHL]]
−
* [[GLUTARYL-COA-DEHYDROGENASE-RXN]]
 
 
* [[HBCHLm]]
 
* [[HBCHLm]]
 +
* [[GLUTACONYL-COA-DECARBOXYLASE-RXN]]
 +
* [[GLUTARYL-COA-DEHYDROGENASE-RXN]]
 +
* [[RXN-11667]]
 
* [[ACOAD1f]]
 
* [[ACOAD1f]]
−
* [[3-HYDROXBUTYRYL-COA-DEHYDRATASE-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* UM-BBD-CPD : c0032
 
−
* CAS : 102680-35-3
 
−
* BIGG : b2coa
 
 
* PUBCHEM:
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245057 25245057]
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245057 25245057]
−
* HMDB : HMDB02009
+
* UM-BBD-CPD : c0032
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00877 C00877]
+
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57332 57332]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57332 57332]
 +
* CAS : 102680-35-3
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00877 C00877]
 +
* HMDB : HMDB02009
 
* METABOLIGHTS : MTBLC57332
 
* METABOLIGHTS : MTBLC57332
 +
* BIGG : b2coa
 
{{#set: smiles=CC=CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O}}
 
{{#set: smiles=CC=CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O}}
−
{{#set: common name=crotonyl-CoA}}
 
−
{{#set: inchi key=InChIKey=KFWWCMJSYSSPSK-BOGFJHSMSA-J}}
 
 
{{#set: molecular weight=831.577    }}
 
{{#set: molecular weight=831.577    }}
 +
{{#set: inchi key=InChIKey=KFWWCMJSYSSPSK-BOGFJHSMSA-J}}
 +
{{#set: common name=crotonyl-CoA}}
 
{{#set: common name=crotonyl-S-CoA|crotonyl-coenzyme A|crotonoyl-CoA|2-butenoyl-CoA|trans-but-2-enoyl-CoA|but-2-enoyl-CoA|trans-butyr-2-enoyl-CoA|(E)-but-2-enoyl-CoA}}
 
{{#set: common name=crotonyl-S-CoA|crotonyl-coenzyme A|crotonoyl-CoA|2-butenoyl-CoA|trans-but-2-enoyl-CoA|but-2-enoyl-CoA|trans-butyr-2-enoyl-CoA|(E)-but-2-enoyl-CoA}}
−
{{#set: consumed by=RXN-12558|BUTYRYL-COA-DEHYDROGENASE-RXN|ACOAR1h}}
+
{{#set: consumed by=ACOAR1h|BUTYRYL-COA-DEHYDROGENASE-RXN|RXN-12558}}
 
{{#set: produced by=ACOA40OR}}
 
{{#set: produced by=ACOA40OR}}
−
{{#set: reversible reaction associated=GLUTACONYL-COA-DECARBOXYLASE-RXN|RXN-11667|HBCHL|GLUTARYL-COA-DEHYDROGENASE-RXN|HBCHLm|ACOAD1f|3-HYDROXBUTYRYL-COA-DEHYDRATASE-RXN}}
+
{{#set: reversible reaction associated=HBCHL|HBCHLm|GLUTACONYL-COA-DECARBOXYLASE-RXN|GLUTARYL-COA-DEHYDROGENASE-RXN|RXN-11667|ACOAD1f}}

Latest revision as of 13:40, 10 January 2019

Metabolite CROTONYL-COA

  • smiles:
    • CC=CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O
  • molecular weight:
    • 831.577
  • inchi key:
    • InChIKey=KFWWCMJSYSSPSK-BOGFJHSMSA-J
  • common name:
    • crotonyl-CoA
  • Synonym(s):
    • crotonyl-S-CoA
    • crotonyl-coenzyme A
    • crotonoyl-CoA
    • 2-butenoyl-CoA
    • trans-but-2-enoyl-CoA
    • but-2-enoyl-CoA
    • trans-butyr-2-enoyl-CoA
    • (E)-but-2-enoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • UM-BBD-CPD : c0032
  • CHEBI:
  • CAS : 102680-35-3
  • LIGAND-CPD:
  • HMDB : HMDB02009
  • METABOLIGHTS : MTBLC57332
  • BIGG : b2coa
"CC=CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O" cannot be used as a page name in this wiki.




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