Difference between revisions of "CPD-18493"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=AMINO-ACETONE AMINO-ACETONE] == * smiles: ** CC(C[N+])=O * inchi key: ** InChIKey=BCDGQXUMWHRQC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18493 CPD-18493] == * smiles: ** CCCCCC=CCC=CCC=CCC=CCC=CCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)...")
 
(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=AMINO-ACETONE AMINO-ACETONE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18493 CPD-18493] ==
 
* smiles:
 
* smiles:
** CC(C[N+])=O
+
** CCCCCC=CCC=CCC=CCC=CCC=CCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-])=O
* inchi key:
+
** InChIKey=BCDGQXUMWHRQCB-UHFFFAOYSA-O
+
 
* common name:
 
* common name:
** aminoacetone
+
** (3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
 +
* inchi key:
 +
** InChIKey=NNEPPYNERZEJEE-VUGYPBMHSA-J
 
* molecular weight:
 
* molecular weight:
** 74.102    
+
** 1120.05    
 
* Synonym(s):
 
* Synonym(s):
 +
** (3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[AMACETOXID-RXN]]
+
* [[RXN-17115]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-14249]]
 
* [[RXN-16001]]
 
* [[THREOSPON-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 298-08-8
 
* METABOLIGHTS : MTBLC58320
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3692773 3692773]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193738 72193738]
* HMDB : HMDB02134
+
* LIGAND-CPD:
+
** [http://www.genome.jp/dbget-bin/www_bget?C01888 C01888]
+
* CHEMSPIDER:
+
** [http://www.chemspider.com/Chemical-Structure.2924867.html 2924867]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58320 58320]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76366 76366]
* BIGG : aact
+
{{#set: smiles=CCCCCC=CCC=CCC=CCC=CCC=CCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-])=O}}
{{#set: smiles=CC(C[N+])=O}}
+
{{#set: common name=(3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA}}
{{#set: inchi key=InChIKey=BCDGQXUMWHRQCB-UHFFFAOYSA-O}}
+
{{#set: inchi key=InChIKey=NNEPPYNERZEJEE-VUGYPBMHSA-J}}
{{#set: common name=aminoacetone}}
+
{{#set: molecular weight=1120.05   }}
{{#set: molecular weight=74.102   }}
+
{{#set: common name=(3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoyl-CoA}}
{{#set: consumed by=AMACETOXID-RXN}}
+
{{#set: consumed by=RXN-17115}}
{{#set: produced by=RXN-14249|RXN-16001|THREOSPON-RXN}}
+

Latest revision as of 19:23, 21 March 2018

Metabolite CPD-18493

  • smiles:
    • CCCCCC=CCC=CCC=CCC=CCC=CCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-])=O
  • common name:
    • (3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
  • inchi key:
    • InChIKey=NNEPPYNERZEJEE-VUGYPBMHSA-J
  • molecular weight:
    • 1120.05
  • Synonym(s):
    • (3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCC=CCC=CCC=CCC=CCC=CCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-])=O" cannot be used as a page name in this wiki.