Difference between revisions of "Ec-13 002370"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=C1 C1] == * smiles: ** CC(C(=O)NC(C)C([O-])=O)NC(=O)C(CCCC([N+])C(=O)[O-])NC(=O)CCC(C(=O)[O-])N...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7221 CPD-7221] == * smiles: ** CCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=C1 C1] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7221 CPD-7221] ==
 
* smiles:
 
* smiles:
−
** CC(C(=O)NC(C)C([O-])=O)NC(=O)C(CCCC([N+])C(=O)[O-])NC(=O)CCC(C(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC1(C(O)C(CO)OC(C(NC(=O)C)1)OP([O-])(OP([O-])(OCC2(C(O)C(O)C(O2)N3(C=CC(=O)NC(=O)3)))=O)=O)
+
** CCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))(=O)[O-])(=O)[O-])(C)C)O)=O)=O)=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=IMWOXEZVYQDRDF-MCZXNMLPSA-J
+
** InChIKey=XEMIVMKTVGRFTD-QXMHVHEDSA-J
 
* common name:
 
* common name:
−
** UDP-N-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine
+
** 3-cis-dodecenoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 1189.924    
+
** 943.792    
 
* Synonym(s):
 
* Synonym(s):
−
** UDP-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine
+
** 12:1(n-9)
−
** UDP-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminoheptanedioate- D-alanyl-D-alanine
+
** 12:1 cis-3
 +
** cis-3-dodecenoyl-CoA
 +
** (3Z)-dodecenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[PHOSNACMURPENTATRANS-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-7931]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244658 25244658]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659197 90659197]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61386 61386]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27989 27989]
−
* BIGG : 44801
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C04882 C04882]
+
** [http://www.genome.jp/dbget-bin/www_bget?C02944 C02944]
−
{{#set: smiles=CC(C(=O)NC(C)C([O-])=O)NC(=O)C(CCCC([N+])C(=O)[O-])NC(=O)CCC(C(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC1(C(O)C(CO)OC(C(NC(=O)C)1)OP([O-])(OP([O-])(OCC2(C(O)C(O)C(O2)N3(C=CC(=O)NC(=O)3)))=O)=O)}}
+
* HMDB : HMDB04257
−
{{#set: inchi key=InChIKey=IMWOXEZVYQDRDF-MCZXNMLPSA-J}}
+
{{#set: smiles=CCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))(=O)[O-])(=O)[O-])(C)C)O)=O)=O)=O}}
−
{{#set: common name=UDP-N-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine}}
+
{{#set: inchi key=InChIKey=XEMIVMKTVGRFTD-QXMHVHEDSA-J}}
−
{{#set: molecular weight=1189.924   }}
+
{{#set: common name=3-cis-dodecenoyl-CoA}}
−
{{#set: common name=UDP-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine|UDP-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminoheptanedioate- D-alanyl-D-alanine}}
+
{{#set: molecular weight=943.792   }}
−
{{#set: consumed by=PHOSNACMURPENTATRANS-RXN}}
+
{{#set: common name=12:1(n-9)|12:1 cis-3|cis-3-dodecenoyl-CoA|(3Z)-dodecenoyl-CoA}}
 +
{{#set: reversible reaction associated=RXN-7931}}

Revision as of 14:48, 21 March 2018

Metabolite CPD-7221

  • smiles:
    • CCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))(=O)[O-])(=O)[O-])(C)C)O)=O)=O)=O
  • inchi key:
    • InChIKey=XEMIVMKTVGRFTD-QXMHVHEDSA-J
  • common name:
    • 3-cis-dodecenoyl-CoA
  • molecular weight:
    • 943.792
  • Synonym(s):
    • 12:1(n-9)
    • 12:1 cis-3
    • cis-3-dodecenoyl-CoA
    • (3Z)-dodecenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))(=O)[O-])(=O)[O-])(C)C)O)=O)=O)=O" cannot be used as a page name in this wiki.



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