Difference between revisions of "RXN-13039"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN3DJ-118 RXN3DJ-118] == * direction: ** LEFT-TO-RIGHT * Synonym(s): == Reaction Formula == * Wit...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13757 CPD-13757] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(C(O)CCC2(C)(C(=O)C...")
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN3DJ-118 RXN3DJ-118] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13757 CPD-13757] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** 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-]
 +
* common name:
 +
** 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoyl-CoA
 +
* inchi key:
 +
** InChIKey=GXYIOJONRQGUCV-SWBALSFASA-J
 +
* molecular weight:
 +
** 1001.785   
 
* Synonym(s):
 
* Synonym(s):
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
* [[RXN-12750]]
−
** 1 [[CPD-13612]][c] '''+''' 1 [[Long-Chain-Acyl-CoAs]][c] '''=>''' 1 [[CO-A]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[CPD3DJ-82]][c]
+
== Reaction(s) known to produce the compound ==
−
* With common name(s):
+
== Reaction(s) of unknown directionality ==
−
** 1 D-erythro-sphinganine[c] '''+''' 1 a long-chain acyl-CoA[c] '''=>''' 1 coenzyme A[c] '''+''' 1 H+[c] '''+''' 1 a dihydroceramide[c]
+
−
 
+
−
== Genes associated with this reaction  ==
+
−
== Pathways  ==
+
−
* [[PWY3DJ-12]], ceramide de novo biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY3DJ-12 PWY3DJ-12]
+
−
** '''4''' reactions found over '''4''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* Category: [[annotation]]
+
−
** Source: [[annotation-in-silico_annotation]]
+
−
*** Tool: [[pathwaytools]]
+
 
== External links  ==
 
== External links  ==
−
{{#set: direction=LEFT-TO-RIGHT}}
+
* PUBCHEM:
−
{{#set: in pathway=PWY3DJ-12}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657574 90657574]
−
{{#set: reconstruction category=annotation}}
+
{{#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-]}}
−
{{#set: reconstruction source=annotation-in-silico_annotation}}
+
{{#set: common name=3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoyl-CoA}}
−
{{#set: reconstruction tool=pathwaytools}}
+
{{#set: inchi key=InChIKey=GXYIOJONRQGUCV-SWBALSFASA-J}}
 +
{{#set: molecular weight=1001.785    }}
 +
{{#set: consumed by=RXN-12750}}

Revision as of 16:01, 21 March 2018

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-]
  • common name:
    • 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoyl-CoA
  • inchi key:
    • InChIKey=GXYIOJONRQGUCV-SWBALSFASA-J
  • molecular weight:
    • 1001.785
  • 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/tisogem/index.php?title=RXN-13039&oldid=38130"