Difference between revisions of "Ec-06 002880"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-SULFINOALANINE 3-SULFINOALANINE] == * smiles: ** C(C([N+])C(=O)[O-])S([O-])=O * inchi key: **...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17621 CPD-17621] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)COP(=O)(O...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-SULFINOALANINE 3-SULFINOALANINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17621 CPD-17621] ==
 
* smiles:
 
* smiles:
−
** C(C([N+])C(=O)[O-])S([O-])=O
+
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)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-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=ADVPTQAUNPRNPO-REOHCLBHSA-M
+
** InChIKey=ROZGNNDROQHXPF-BBECNAHFSA-J
 
* common name:
 
* common name:
−
** 3-sulfinoalanine
+
** 16-hydroxypalmitoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 152.145    
+
** 1017.914    
 
* Synonym(s):
 
* Synonym(s):
−
** cysteine sulfinate
+
** ω-hydroxy-hexadecanoyl-coenzyme A
−
** cysteine sulphinate
+
** ω-hydroxypalmitoyl-CoA
−
** L-cysteine sulfinate
+
** 16-hydroxy-hexadecanoyl-CoA
−
** 3-sulfino-L-alanine
+
−
** L-cysteinesulfinic acid
+
−
** 3-sulphino-L-alanine
+
−
** cysteine-sulfinate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[CYSTEINE-DIOXYGENASE-RXN]]
+
* [[RXN-16389]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[3-SULFINOALANINE-AMINOTRANSFERASE-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 1115-65-7
 
−
* BIGG : 35482
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1549097 1549097]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=86583440 86583440]
−
* HMDB : HMDB60179
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00606 C00606]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.1266064.html 1266064]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61085 61085]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=84207 84207]
−
* METABOLIGHTS : MTBLC61085
+
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)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-]}}
−
{{#set: smiles=C(C([N+])C(=O)[O-])S([O-])=O}}
+
{{#set: inchi key=InChIKey=ROZGNNDROQHXPF-BBECNAHFSA-J}}
−
{{#set: inchi key=InChIKey=ADVPTQAUNPRNPO-REOHCLBHSA-M}}
+
{{#set: common name=16-hydroxypalmitoyl-CoA}}
−
{{#set: common name=3-sulfinoalanine}}
+
{{#set: molecular weight=1017.914   }}
−
{{#set: molecular weight=152.145   }}
+
{{#set: common name=ω-hydroxy-hexadecanoyl-coenzyme A|ω-hydroxypalmitoyl-CoA|16-hydroxy-hexadecanoyl-CoA}}
−
{{#set: common name=cysteine sulfinate|cysteine sulphinate|L-cysteine sulfinate|3-sulfino-L-alanine|L-cysteinesulfinic acid|3-sulphino-L-alanine|cysteine-sulfinate}}
+
{{#set: produced by=RXN-16389}}
−
{{#set: produced by=CYSTEINE-DIOXYGENASE-RXN}}
+
−
{{#set: consumed or produced by=3-SULFINOALANINE-AMINOTRANSFERASE-RXN}}
+

Revision as of 22:57, 17 March 2018

Metabolite CPD-17621

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)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-]
  • inchi key:
    • InChIKey=ROZGNNDROQHXPF-BBECNAHFSA-J
  • common name:
    • 16-hydroxypalmitoyl-CoA
  • molecular weight:
    • 1017.914
  • Synonym(s):
    • ω-hydroxy-hexadecanoyl-coenzyme A
    • ω-hydroxypalmitoyl-CoA
    • 16-hydroxy-hexadecanoyl-CoA

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)CCCCCCCCCCCCCCCO)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-" cannot be used as a page name in this wiki.



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