Difference between revisions of "RXN-9624"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4187 CPD-4187] == * smiles: ** CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3(C2=CC=C4(C(C)3CCC(O)C...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18550 CPD-18550] == * smiles: ** C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(=O)C4(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4187 CPD-4187] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18550 CPD-18550] ==
 
* smiles:
 
* smiles:
** CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3(C2=CC=C4(C(C)3CCC(O)C4))))
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** C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(=O)C4(C=NC5(=CC=CC=C(N=4)5)))([O-])=O
 
* inchi key:
 
* inchi key:
** InChIKey=UCTLRSWJYQTBFZ-DDPQNLDTSA-N
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** InChIKey=VMJWEICPCDRXQL-SCFUHWHPSA-M
 
* common name:
 
* common name:
** 7-dehydrocholesterol
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** quinoxaline-2-carboxyl adenylate
 
* molecular weight:
 
* molecular weight:
** 384.644    
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** 502.359    
 
* Synonym(s):
 
* Synonym(s):
** cholesta-5,7-dien-3 β-ol
 
** cholesta-5,7-dienol
 
** 7-dehydro-cholesterol
 
** cholesta-5,7-dien-3β-ol
 
** provitamin D3
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN66-323]]
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* [[RXN-17155]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[1.14.21.6-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 434-16-2
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439423 439423]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515331 102515331]
* CHEBI:
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{{#set: smiles=C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(=O)C4(C=NC5(=CC=CC=C(N=4)5)))([O-])=O}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17759 17759]
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{{#set: inchi key=InChIKey=VMJWEICPCDRXQL-SCFUHWHPSA-M}}
* LIGAND-CPD:
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{{#set: common name=quinoxaline-2-carboxyl adenylate}}
** [http://www.genome.jp/dbget-bin/www_bget?C01164 C01164]
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{{#set: molecular weight=502.359   }}
* HMDB : HMDB00032
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{{#set: consumed by=RXN-17155}}
{{#set: smiles=CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3(C2=CC=C4(C(C)3CCC(O)C4))))}}
+
{{#set: inchi key=InChIKey=UCTLRSWJYQTBFZ-DDPQNLDTSA-N}}
+
{{#set: common name=7-dehydrocholesterol}}
+
{{#set: molecular weight=384.644   }}
+
{{#set: common name=cholesta-5,7-dien-3 β-ol|cholesta-5,7-dienol|7-dehydro-cholesterol|cholesta-5,7-dien-3β-ol|provitamin D3}}
+
{{#set: consumed by=RXN66-323}}
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{{#set: produced by=1.14.21.6-RXN}}
+

Revision as of 15:57, 10 January 2018

Metabolite CPD-18550

  • smiles:
    • C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(=O)C4(C=NC5(=CC=CC=C(N=4)5)))([O-])=O
  • inchi key:
    • InChIKey=VMJWEICPCDRXQL-SCFUHWHPSA-M
  • common name:
    • quinoxaline-2-carboxyl adenylate
  • molecular weight:
    • 502.359
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(=O)C4(C=NC5(=CC=CC=C(N=4)5)))([O-])=O" cannot be used as a page name in this wiki.