Difference between revisions of "TREHALOSEPHOSPHA-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=APS APS] == * smiles: ** C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OS(=O)([O-])=O)([O-])...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13695 CPD-13695] == * smiles: ** CC(CCC(=O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=APS APS] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13695 CPD-13695] ==
 
* smiles:
 
* smiles:
** C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OS(=O)([O-])=O)([O-])=O
+
** CC(CCC(=O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))
 
* inchi key:
 
* inchi key:
** InChIKey=IRLPACMLTUPBCL-KQYNXXCUSA-L
+
** InChIKey=ZVFUUGBGZMBUAN-KZNRQMKSSA-J
 
* common name:
 
* common name:
** adenosine 5'-phosphosulfate
+
** 3,24-dioxocholest-4-en-26-oyl-CoA
 
* molecular weight:
 
* molecular weight:
** 425.266    
+
** 1174.098    
 
* Synonym(s):
 
* Synonym(s):
** adenylyl-sulfate
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** cholest-4-en--3,24,dione-26-oyl-CoA
** APS
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** adenosine phosphosulfate
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** adenosine 5'-sulphatophosphate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ADENYLYLSULFATASE-RXN]]
 
* [[AASP]]
 
* [[1.8.4.9-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12705]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[R163-RXN]]
 
* [[ADENYLYLSULFKIN-RXN]]
 
* [[SULFATE-ADENYLYLTRANS-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 485-84-7
 
* METABOLIGHTS : MTBLC58243
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=49852317 49852317]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515485 102515485]
* HMDB : HMDB01003
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{{#set: smiles=CC(CCC(=O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))}}
* LIGAND-CPD:
+
{{#set: inchi key=InChIKey=ZVFUUGBGZMBUAN-KZNRQMKSSA-J}}
** [http://www.genome.jp/dbget-bin/www_bget?C00224 C00224]
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{{#set: common name=3,24-dioxocholest-4-en-26-oyl-CoA}}
* CHEBI:
+
{{#set: molecular weight=1174.098   }}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58243 58243]
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{{#set: common name=cholest-4-en--3,24,dione-26-oyl-CoA}}
* BIGG : aps
+
{{#set: produced by=RXN-12705}}
{{#set: smiles=C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OS(=O)([O-])=O)([O-])=O}}
+
{{#set: inchi key=InChIKey=IRLPACMLTUPBCL-KQYNXXCUSA-L}}
+
{{#set: common name=adenosine 5'-phosphosulfate}}
+
{{#set: molecular weight=425.266   }}
+
{{#set: common name=adenylyl-sulfate|APS|adenosine phosphosulfate|adenosine 5'-sulphatophosphate}}
+
{{#set: consumed by=ADENYLYLSULFATASE-RXN|AASP|1.8.4.9-RXN}}
+
{{#set: consumed or produced by=R163-RXN|ADENYLYLSULFKIN-RXN|SULFATE-ADENYLYLTRANS-RXN}}
+

Revision as of 18:09, 10 January 2018

Metabolite CPD-13695

  • smiles:
    • CC(CCC(=O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))
  • inchi key:
    • InChIKey=ZVFUUGBGZMBUAN-KZNRQMKSSA-J
  • common name:
    • 3,24-dioxocholest-4-en-26-oyl-CoA
  • molecular weight:
    • 1174.098
  • Synonym(s):
    • cholest-4-en--3,24,dione-26-oyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(CCC(=O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))" cannot be used as a page name in this wiki.