Difference between revisions of "RXN-13039"

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

Revision as of 17:01, 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.


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