Difference between revisions of "CPD-12199"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=NADH-DEHYDROGENASE-RXN NADH-DEHYDROGENASE-RXN] == * direction: ** REVERSIBLE * common name: ** NADH...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12199 CPD-12199] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=C(O)C=C1))COP(...")
 
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=NADH-DEHYDROGENASE-RXN NADH-DEHYDROGENASE-RXN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12199 CPD-12199] ==
−
* direction:
+
* smiles:
−
** REVERSIBLE
+
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=C(O)C=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
 +
* inchi key:
 +
** InChIKey=VDDFXUMTXCQMFM-UGDQNKSBSA-J
 
* common name:
 
* common name:
−
** NADH dehydrogenase
+
** 3S-(4-hydroxyphenyl)-3-hydroxy-propanoyl-CoA
−
* ec number:
+
* molecular weight:
−
** [http://enzyme.expasy.org/EC/1.6.99.3 EC-1.6.99.3]
+
** 927.663   
 
* Synonym(s):
 
* Synonym(s):
 +
** 3S-(4-hydroxyphenyl)-3-hydroxy-propionyl-CoA
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
* [[RXN-11245]]
−
** 1 [[NADH]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[Acceptor]][c] '''<=>''' 1 [[NAD]][c] '''+''' 1 [[Donor-H2]][c]
+
== Reaction(s) known to produce the compound ==
−
* With common name(s):
+
* [[RXN-11244]]
−
** 1 NADH[c] '''+''' 1 H+[c] '''+''' 1 an oxidized unknown electron acceptor[c] '''<=>''' 1 NAD+[c] '''+''' 1 an reduced unknown electron acceptor[c]
+
== Reaction(s) of unknown directionality ==
−
 
+
−
== Genes associated with this reaction  ==
+
−
Genes have been associated with this reaction based on different elements listed below.
+
−
* Gene: [[Ec-02_006350]]
+
−
** Source: [[annotation-esiliculosus_genome]]
+
−
*** Assignment: GO-TERM
+
−
== Pathways  ==
+
−
== Reconstruction information  ==
+
−
* Category: [[annotation]]
+
−
** Source: [[annotation-esiliculosus_genome]]
+
−
*** Tool: [[pathwaytools]]
+
 
== External links  ==
 
== External links  ==
−
* RHEA:
+
* PUBCHEM:
−
** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=11356 11356]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173446 46173446]
−
* LIGAND-RXN:
+
* CHEBI:
−
** [http://www.genome.jp/dbget-bin/www_bget?R00281 R00281]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=73549 73549]
−
* UNIPROT:
+
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=C(O)C=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
−
** [http://www.uniprot.org/uniprot/P21301 P21301]
+
{{#set: inchi key=InChIKey=VDDFXUMTXCQMFM-UGDQNKSBSA-J}}
−
** [http://www.uniprot.org/uniprot/O05267 O05267]
+
{{#set: common name=3S-(4-hydroxyphenyl)-3-hydroxy-propanoyl-CoA}}
−
** [http://www.uniprot.org/uniprot/P04394 P04394]
+
{{#set: molecular weight=927.663    }}
−
** [http://www.uniprot.org/uniprot/P80861 P80861]
+
{{#set: common name=3S-(4-hydroxyphenyl)-3-hydroxy-propionyl-CoA}}
−
** [http://www.uniprot.org/uniprot/P44856 P44856]
+
{{#set: consumed by=RXN-11245}}
−
** [http://www.uniprot.org/uniprot/P00393 P00393]
+
{{#set: produced by=RXN-11244}}
−
** [http://www.uniprot.org/uniprot/P52504 P52504]
+
−
** [http://www.uniprot.org/uniprot/O75380 O75380]
+
−
** [http://www.uniprot.org/uniprot/Q7M2F7 Q7M2F7]
+
−
** [http://www.uniprot.org/uniprot/Q7M2F8 Q7M2F8]
+
−
** [http://www.uniprot.org/uniprot/Q7M2G8 Q7M2G8]
+
−
** [http://www.uniprot.org/uniprot/Q7M2F9 Q7M2F9]
+
−
** [http://www.uniprot.org/uniprot/Q7M2G0 Q7M2G0]
+
−
** [http://www.uniprot.org/uniprot/Q7M2G1 Q7M2G1]
+
−
** [http://www.uniprot.org/uniprot/Q7M2G2 Q7M2G2]
+
−
** [http://www.uniprot.org/uniprot/Q7M2G3 Q7M2G3]
+
−
** [http://www.uniprot.org/uniprot/Q7M2G4 Q7M2G4]
+
−
** [http://www.uniprot.org/uniprot/Q7M2G7 Q7M2G7]
+
−
** [http://www.uniprot.org/uniprot/P23934 P23934]
+
−
** [http://www.uniprot.org/uniprot/P42116 P42116]
+
−
** [http://www.uniprot.org/uniprot/P73739 P73739]
+
−
** [http://www.uniprot.org/uniprot/P74614 P74614]
+
−
** [http://www.uniprot.org/uniprot/Q35322 Q35322]
+
−
{{#set: direction=REVERSIBLE}}
+
−
{{#set: common name=NADH dehydrogenase}}
+
−
{{#set: ec number=EC-1.6.99.3}}
+
−
{{#set: gene associated=Ec-02_006350}}
+
−
{{#set: in pathway=}}
+
−
{{#set: reconstruction category=annotation}}
+
−
{{#set: reconstruction source=annotation-esiliculosus_genome}}
+
−
{{#set: reconstruction tool=pathwaytools}}
+

Latest revision as of 20:12, 21 March 2018

Metabolite CPD-12199

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=C(O)C=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
  • inchi key:
    • InChIKey=VDDFXUMTXCQMFM-UGDQNKSBSA-J
  • common name:
    • 3S-(4-hydroxyphenyl)-3-hydroxy-propanoyl-CoA
  • molecular weight:
    • 927.663
  • Synonym(s):
    • 3S-(4-hydroxyphenyl)-3-hydroxy-propionyl-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(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=C(O)C=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-" cannot be used as a page name in this wiki.




Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=CPD-12199&oldid=25322"