Difference between revisions of "CPD-13757"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-596 CPD-596] == * smiles: ** CN(C(=[N+])NCCCC([N+])C(=O)[O-])C * inchi key: ** InChIKey=YDG...")
 
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-596 CPD-596] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13757 CPD-13757] ==
 
* smiles:
 
* smiles:
−
** CN(C(=[N+])NCCCC([N+])C(=O)[O-])C
+
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(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-]
 +
* molecular weight:
 +
** 1001.785   
 
* inchi key:
 
* inchi key:
−
** InChIKey=YDGMGEXADBMOMJ-LURJTMIESA-O
+
** InChIKey=GXYIOJONRQGUCV-SWBALSFASA-J
 
* common name:
 
* common name:
−
** N6,N6-dimethyl-L-arginine
+
** 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoyl-CoA
−
* molecular weight:
+
−
** 203.264   
+
 
* Synonym(s):
 
* Synonym(s):
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12750]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[DIMETHYLARGININASE-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 102783-24-4
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203330 25203330]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657574 90657574]
−
* CHEBI:
+
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(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.ebi.ac.uk/chebi/searchId.do?chebiId=58326 58326]
+
{{#set: molecular weight=1001.785    }}
−
* LIGAND-CPD:
+
{{#set: inchi key=InChIKey=GXYIOJONRQGUCV-SWBALSFASA-J}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C03626 C03626]
+
{{#set: common name=3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoyl-CoA}}
−
* HMDB : HMDB01539
+
{{#set: consumed by=RXN-12750}}
−
{{#set: smiles=CN(C(=[N+])NCCCC([N+])C(=O)[O-])C}}
+
−
{{#set: inchi key=InChIKey=YDGMGEXADBMOMJ-LURJTMIESA-O}}
+
−
{{#set: common name=N6,N6-dimethyl-L-arginine}}
+
−
{{#set: molecular weight=203.264    }}
+
−
{{#set: consumed or produced by=DIMETHYLARGININASE-RXN}}
+

Latest revision as of 18:04, 9 January 2019

Metabolite CPD-13757

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(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-]
  • molecular weight:
    • 1001.785
  • inchi key:
    • InChIKey=GXYIOJONRQGUCV-SWBALSFASA-J
  • common name:
    • 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoyl-CoA
  • Synonym(s):

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(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,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoyl-CoA" cannot be used as a page name in this wiki.
Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=CPD-13757&oldid=23855"