Difference between revisions of "CPD-12311"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OH OH] == * smiles: ** [O-] * inchi key: ** InChIKey=XLYOFNOQVPJJNP-UHFFFAOYSA-M * common name:...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12311 CPD-12311] == * smiles: ** CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CC...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OH OH] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12311 CPD-12311] ==
 
* smiles:
 
* smiles:
−
** [O-]
+
** CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC4(OC(CO)C3(OC9(OC(CO)C(OC8(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CC(N)C(NC(=O)C(C)NC(=O)C(CCCCNC(CC([N+])C(N)=O)=O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC7(C(OC6(OC(CO)C(OC5(OC(CO)C(OC2(OC(CO)C(O)C(O)C(NC(=O)C)2))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CC(N)C(NC(=O)C(C)NC(=O)C(CCCCNC(CC([N+])C(N)=O)=O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC3C(NC(C)=O)4)C(=O)N)=O)=O)C(NC(C)C(=O)[O-])=O)C(=O)N)C(NC(C)=O)5))C(O)C(NC(=O)C)6))C(CO)OC(O)C(NC(C)=O)7))C(=O)N)=O)=O)C(NC(C)C([O-])=O)=O)C(=O)N)C(NC(C)=O)8))C(O)C(NC(=O)C)9))))C)C)C)C)C)C
−
* inchi key:
+
−
** InChIKey=XLYOFNOQVPJJNP-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
−
** OH-
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** a peptidoglycan with D,D cross-link (E. faecium)
 +
* inchi key:
 +
** InChIKey=SEILTNKQZGHVNR-OTCLWVBASA-L
 
* molecular weight:
 
* molecular weight:
−
** 18.015    
+
** 4871.312    
 
* Synonym(s):
 
* Synonym(s):
−
** hydroxyl
+
** N-acetylglucosamine--N-acetylmuramoyl-(tetrapeptide) diphospho-undecaprenol dimer with D,D cross-link (S. aureus)
−
** hydroxyl ion
+
−
** OH
+
−
** hydroxide
+
−
** hydroxide ion
+
  
 
== 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 ==
−
* [[RXN-12540]]
+
* [[RXN-11351]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 14280-30-9
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=961 961]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658540 90658540]
−
* HMDB : HMDB01039
+
{{#set: smiles=CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC4(OC(CO)C3(OC9(OC(CO)C(OC8(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CC(N)C(NC(=O)C(C)NC(=O)C(CCCCNC(CC([N+])C(N)=O)=O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC7(C(OC6(OC(CO)C(OC5(OC(CO)C(OC2(OC(CO)C(O)C(O)C(NC(=O)C)2))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CC(N)C(NC(=O)C(C)NC(=O)C(CCCCNC(CC([N+])C(N)=O)=O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC3C(NC(C)=O)4)C(=O)N)=O)=O)C(NC(C)C(=O)[O-])=O)C(=O)N)C(NC(C)=O)5))C(O)C(NC(=O)C)6))C(CO)OC(O)C(NC(C)=O)7))C(=O)N)=O)=O)C(NC(C)C([O-])=O)=O)C(=O)N)C(NC(C)=O)8))C(O)C(NC(=O)C)9))))C)C)C)C)C)C}}
−
* LIGAND-CPD:
+
{{#set: common name=a peptidoglycan with D,D cross-link (E. faecium)}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C01328 C01328]
+
{{#set: inchi key=InChIKey=SEILTNKQZGHVNR-OTCLWVBASA-L}}
−
* CHEMSPIDER:
+
{{#set: molecular weight=4871.312   }}
−
** [http://www.chemspider.com/Chemical-Structure.936.html 936]
+
{{#set: common name=N-acetylglucosamine--N-acetylmuramoyl-(tetrapeptide) diphospho-undecaprenol dimer with D,D cross-link (S. aureus)}}
−
* CHEBI:
+
{{#set: produced by=RXN-11351}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16234 16234]
+
−
{{#set: smiles=[O-]}}
+
−
{{#set: inchi key=InChIKey=XLYOFNOQVPJJNP-UHFFFAOYSA-M}}
+
−
{{#set: common name=OH-}}
+
−
{{#set: molecular weight=18.015   }}
+
−
{{#set: common name=hydroxyl|hydroxyl ion|OH|hydroxide|hydroxide ion}}
+
−
{{#set: produced by=RXN-12540}}
+

Latest revision as of 20:15, 21 March 2018

Metabolite CPD-12311

  • smiles:
    • CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC4(OC(CO)C3(OC9(OC(CO)C(OC8(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CC(N)C(NC(=O)C(C)NC(=O)C(CCCCNC(CC([N+])C(N)=O)=O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC7(C(OC6(OC(CO)C(OC5(OC(CO)C(OC2(OC(CO)C(O)C(O)C(NC(=O)C)2))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CC(N)C(NC(=O)C(C)NC(=O)C(CCCCNC(CC([N+])C(N)=O)=O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC3C(NC(C)=O)4)C(=O)N)=O)=O)C(NC(C)C(=O)[O-])=O)C(=O)N)C(NC(C)=O)5))C(O)C(NC(=O)C)6))C(CO)OC(O)C(NC(C)=O)7))C(=O)N)=O)=O)C(NC(C)C([O-])=O)=O)C(=O)N)C(NC(C)=O)8))C(O)C(NC(=O)C)9))))C)C)C)C)C)C
  • common name:
    • a peptidoglycan with D,D cross-link (E. faecium)
  • inchi key:
    • InChIKey=SEILTNKQZGHVNR-OTCLWVBASA-L
  • molecular weight:
    • 4871.312
  • Synonym(s):
    • N-acetylglucosamine--N-acetylmuramoyl-(tetrapeptide) diphospho-undecaprenol dimer with D,D cross-link (S. aureus)

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC4(OC(CO)C3(OC9(OC(CO)C(OC8(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CC(N)C(NC(=O)C(C)NC(=O)C(CCCCNC(CC([N+])C(N)=O)=O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC7(C(OC6(OC(CO)C(OC5(OC(CO)C(OC2(OC(CO)C(O)C(O)C(NC(=O)C)2))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CC(N)C(NC(=O)C(C)NC(=O)C(CCCCNC(CC([N+])C(N)=O)=O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC3C(NC(C)=O)4)C(=O)N)=O)=O)C(NC(C)C(=O)[O-])=O)C(=O)N)C(NC(C)=O)5))C(O)C(NC(=O)C)6))C(CO)OC(O)C(NC(C)=O)7))C(=O)N)=O)=O)C(NC(C)C([O-])=O)=O)C(=O)N)C(NC(C)=O)8))C(O)C(NC(=O)C)9))))C)C)C)C)C)C" cannot be used as a page name in this wiki.



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