Difference between revisions of "Tiso gene 1580"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-768 CPD1G-768] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCC2(CC(CCCCC...")
(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=CPD1G-768 CPD1G-768] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13695 CPD-13695] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCC1(CC(CCCCCCCCCCCCCCCCCC)1))2))C(=O)OCC3(OC(C(C(C3O)O)O)OC4(C(C(C(C(O4)COP([O-])(=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=GXOBNDAJNVBERI-BGZCIIMLSA-L
+
** InChIKey=ZVFUUGBGZMBUAN-KZNRQMKSSA-J
 
* common name:
 
* common name:
−
** 6-O-α-mycolyl-trehalose 6-phosphate
+
** 3,24-dioxocholest-4-en-26-oyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 1540.305    
+
** 1174.098    
 
* Synonym(s):
 
* Synonym(s):
 +
** cholest-4-en--3,24,dione-26-oyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN1G-1435]]
 
 
== 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 ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659176 90659176]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515485 102515485]
−
{{#set: smiles=CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCC1(CC(CCCCCCCCCCCCCCCCCC)1))2))C(=O)OCC3(OC(C(C(C3O)O)O)OC4(C(C(C(C(O4)COP([O-])(=O)[O-])O)O)O))}}
+
{{#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))))}}
−
{{#set: inchi key=InChIKey=GXOBNDAJNVBERI-BGZCIIMLSA-L}}
+
{{#set: inchi key=InChIKey=ZVFUUGBGZMBUAN-KZNRQMKSSA-J}}
−
{{#set: common name=6-O-α-mycolyl-trehalose 6-phosphate}}
+
{{#set: common name=3,24-dioxocholest-4-en-26-oyl-CoA}}
−
{{#set: molecular weight=1540.305   }}
+
{{#set: molecular weight=1174.098   }}
−
{{#set: consumed by=RXN1G-1435}}
+
{{#set: common name=cholest-4-en--3,24,dione-26-oyl-CoA}}
 +
{{#set: produced by=RXN-12705}}

Revision as of 18:49, 18 March 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.



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