Difference between revisions of "ATCY"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ 23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ] == * smiles:...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13754 CPD-13754] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ 23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13754 CPD-13754] ==
 
* smiles:
 
* smiles:
−
** CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC13(OC(C)(C(=O)C2(C=CC=CC(C(=O)1)=2))3)
+
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(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-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=KUTXFBIHPWIDJQ-HBDFACPTSA-N
+
** InChIKey=IWNWMTZIJPUDPV-MDQHZGBLSA-J
 
* common name:
 
* common name:
−
** vitamin K 2,3-epoxide
+
** 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 466.703    
+
** 983.77    
 
* Synonym(s):
 
* Synonym(s):
−
** 2,3-epoxyphylloquinone
+
** HIP-CoA
−
** 2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12747]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[1.1.4.1-RXN]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460204 5460204]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=86289539 86289539]
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.4444391.html 4444391]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15759 15759]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=78357 78357]
−
* LIGAND-CPD:
+
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(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-]}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C05849 C05849]
+
{{#set: inchi key=InChIKey=IWNWMTZIJPUDPV-MDQHZGBLSA-J}}
−
* HMDB : HMDB02972
+
{{#set: common name=3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA}}
−
{{#set: smiles=CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC13(OC(C)(C(=O)C2(C=CC=CC(C(=O)1)=2))3)}}
+
{{#set: molecular weight=983.77   }}
−
{{#set: inchi key=InChIKey=KUTXFBIHPWIDJQ-HBDFACPTSA-N}}
+
{{#set: common name=HIP-CoA}}
−
{{#set: common name=vitamin K 2,3-epoxide}}
+
{{#set: consumed by=RXN-12747}}
−
{{#set: molecular weight=466.703   }}
+
−
{{#set: common name=2,3-epoxyphylloquinone|2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone}}
+
−
{{#set: consumed or produced by=1.1.4.1-RXN}}
+

Revision as of 18:34, 10 January 2018

Metabolite CPD-13754

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(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-]
  • inchi key:
    • InChIKey=IWNWMTZIJPUDPV-MDQHZGBLSA-J
  • common name:
    • 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA
  • molecular weight:
    • 983.77
  • Synonym(s):
    • HIP-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)CCC1(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,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA" cannot be used as a page name in this wiki.


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