Difference between revisions of "CPD-13699"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=CARBAMATE-KINASE-RXN CARBAMATE-KINASE-RXN] == * direction: ** REVERSIBLE * ec number: ** [http://en...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13754 CPD-13754] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[...")
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=CARBAMATE-KINASE-RXN CARBAMATE-KINASE-RXN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13754 CPD-13754] ==
−
* direction:
+
* smiles:
−
** REVERSIBLE
+
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
−
* ec number:
+
* inchi key:
−
** [http://enzyme.expasy.org/EC/2.7.2.2 EC-2.7.2.2]
+
** InChIKey=IWNWMTZIJPUDPV-MDQHZGBLSA-J
 +
* common name:
 +
** 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA
 +
* molecular weight:
 +
** 983.77   
 
* Synonym(s):
 
* Synonym(s):
 +
** HIP-CoA
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
* [[RXN-12747]]
−
** 1 [[CARBON-DIOXIDE]][c] '''+''' 1 [[AMMONIUM]][c] '''+''' 1 [[ATP]][c] '''<=>''' 2 [[PROTON]][c] '''+''' 1 [[ADP]][c] '''+''' 1 [[CARBAMOYL-P]][c]
+
== Reaction(s) known to produce the compound ==
−
* With common name(s):
+
== Reaction(s) of unknown directionality ==
−
** 1 CO2[c] '''+''' 1 ammonium[c] '''+''' 1 ATP[c] '''<=>''' 2 H+[c] '''+''' 1 ADP[c] '''+''' 1 carbamoyl phosphate[c]
+
−
 
+
−
== Genes associated with this reaction  ==
+
−
== Pathways  ==
+
−
* [[PWY0-41]], allantoin degradation IV (anaerobic): [http://metacyc.org/META/NEW-IMAGE?object=PWY0-41 PWY0-41]
+
−
** '''2''' reactions found over '''6''' reactions in the full pathway
+
−
* [[CITRULLINE-DEG-PWY]], L-citrulline degradation: [http://metacyc.org/META/NEW-IMAGE?object=CITRULLINE-DEG-PWY CITRULLINE-DEG-PWY]
+
−
** '''2''' reactions found over '''2''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* [[annotation]]:
+
−
** [[pathwaytools]]:
+
−
*** [[experimental_annotation]]
+
 
== External links  ==
 
== External links  ==
−
* RHEA:
+
* PUBCHEM:
−
** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=10152 10152]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=86289539 86289539]
−
* LIGAND-RXN:
+
* CHEBI:
−
** [http://www.genome.jp/dbget-bin/www_bget?R00150 R00150]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=78357 78357]
−
* UNIPROT:
+
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]}}
−
** [http://www.uniprot.org/uniprot/Q9CE17 Q9CE17]
+
{{#set: inchi key=InChIKey=IWNWMTZIJPUDPV-MDQHZGBLSA-J}}
−
** [http://www.uniprot.org/uniprot/Q46807 Q46807]
+
{{#set: common name=3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA}}
−
** [http://www.uniprot.org/uniprot/Q8XCV5 Q8XCV5]
+
{{#set: molecular weight=983.77    }}
−
** [http://www.uniprot.org/uniprot/Q9CE16 Q9CE16]
+
{{#set: common name=HIP-CoA}}
−
** [http://www.uniprot.org/uniprot/P77624 P77624]
+
{{#set: consumed by=RXN-12747}}
−
** [http://www.uniprot.org/uniprot/Q8X6A8 Q8X6A8]
+
−
** [http://www.uniprot.org/uniprot/P44769 P44769]
+
−
** [http://www.uniprot.org/uniprot/P37306 P37306]
+
−
** [http://www.uniprot.org/uniprot/Q9CEY7 Q9CEY7]
+
−
** [http://www.uniprot.org/uniprot/P13982 P13982]
+
−
** [http://www.uniprot.org/uniprot/P0A2X8 P0A2X8]
+
−
** [http://www.uniprot.org/uniprot/P78030 P78030]
+
−
** [http://www.uniprot.org/uniprot/P74733 P74733]
+
−
** [http://www.uniprot.org/uniprot/Q48295 Q48295]
+
−
** [http://www.uniprot.org/uniprot/O53090 O53090]
+
−
{{#set: direction=REVERSIBLE}}
+
−
{{#set: ec number=EC-2.7.2.2}}
+
−
{{#set: in pathway=PWY0-41|CITRULLINE-DEG-PWY}}
+
−
{{#set: reconstruction category=annotation}}
+
−
{{#set: reconstruction tool=pathwaytools}}
+
−
{{#set: reconstruction source=experimental_annotation}}
+

Revision as of 18:59, 18 March 2018

Metabolite CPD-13754

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
  • inchi key:
    • InChIKey=IWNWMTZIJPUDPV-MDQHZGBLSA-J
  • common name:
    • 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA
  • molecular weight:
    • 983.77
  • Synonym(s):
    • HIP-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)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-" cannot be used as a page name in this wiki.
"3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA" cannot be used as a page name in this wiki.


Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-13699&oldid=28161"