Difference between revisions of "PHENDEHYD-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DTDP-DEOH-DEOXY-GLUCOSE DTDP-DEOH-DEOXY-GLUCOSE] == * smiles: ** CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18 CPD-18] == * smiles: ** CCCCCC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DTDP-DEOH-DEOXY-GLUCOSE DTDP-DEOH-DEOXY-GLUCOSE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18 CPD-18] ==
 
* smiles:
 
* smiles:
−
** CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP(=O)([O-])OP(=O)([O-])OC2(OC(C)C(=O)C(O)C(O)2))O3))
+
** CCCCCC=CCC=CCCCCCCCC(=O)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-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=PSXWNITXWWECNY-UCBTUHGZSA-L
+
** InChIKey=YECLLIMZHNYFCK-RRNJGNTNSA-J
 
* common name:
 
* common name:
−
** dTDP-4-dehydro-6-deoxy-α-D-glucopyranose
+
** linoleoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 544.302    
+
** 1025.937    
 
* Synonym(s):
 
* Synonym(s):
−
** TDP-4-keto-6-deoxy--α-D-glucose
+
** cis,cis-octadeca-9,12-dienoyl-CoA
−
** TDP-4-oxo-6-deoxy--α-D-glucose
+
** (9Z,12Z)-octadeca-9,12-dienoyl-CoA
−
** dTDP-4-oxo-6-deoxy--α-D-glucose
+
** 18:2(n-6)
−
** dTDP-6-deoxy-α-D-xylo-4-hexosulose
+
−
** dTDP-6-deoxy-α-D-xylohex-4-ulose
+
−
** dTDP-4-dehydro-6-deoxy-α-D-glucose
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[1.14.19.3-RXN]]
 +
* [[RXN-16094]]
 +
* [[LINOLEOYL-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[DTDPGLUCDEHYDRAT-RXN]]
+
* [[RXN-16045]]
 +
* [[RXN-9601]]
 +
* [[RXN-9673]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* BIGG : 35701
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244163 25244163]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245440 25245440]
−
* HMDB : HMDB01399
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C11907 C11907]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57649 57649]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57383 57383]
−
* METABOLIGHTS : MTBLC57649
+
* LIGAND-CPD:
−
{{#set: smiles=CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP(=O)([O-])OP(=O)([O-])OC2(OC(C)C(=O)C(O)C(O)2))O3))}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C02050 C02050]
−
{{#set: inchi key=InChIKey=PSXWNITXWWECNY-UCBTUHGZSA-L}}
+
* HMDB : HMDB01064
−
{{#set: common name=dTDP-4-dehydro-6-deoxy-α-D-glucopyranose}}
+
{{#set: smiles=CCCCCC=CCC=CCCCCCCCC(=O)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-]}}
−
{{#set: molecular weight=544.302   }}
+
{{#set: inchi key=InChIKey=YECLLIMZHNYFCK-RRNJGNTNSA-J}}
−
{{#set: common name=TDP-4-keto-6-deoxy--α-D-glucose|TDP-4-oxo-6-deoxy--α-D-glucose|dTDP-4-oxo-6-deoxy--α-D-glucose|dTDP-6-deoxy-α-D-xylo-4-hexosulose|dTDP-6-deoxy-α-D-xylohex-4-ulose|dTDP-4-dehydro-6-deoxy-α-D-glucose}}
+
{{#set: common name=linoleoyl-CoA}}
−
{{#set: produced by=DTDPGLUCDEHYDRAT-RXN}}
+
{{#set: molecular weight=1025.937   }}
 +
{{#set: common name=cis,cis-octadeca-9,12-dienoyl-CoA|(9Z,12Z)-octadeca-9,12-dienoyl-CoA|18:2(n-6)}}
 +
{{#set: consumed by=1.14.19.3-RXN|RXN-16094|LINOLEOYL-RXN}}
 +
{{#set: produced by=RXN-16045|RXN-9601|RXN-9673}}

Revision as of 14:39, 21 March 2018

Metabolite CPD-18

  • smiles:
    • CCCCCC=CCC=CCCCCCCCC(=O)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-]
  • inchi key:
    • InChIKey=YECLLIMZHNYFCK-RRNJGNTNSA-J
  • common name:
    • linoleoyl-CoA
  • molecular weight:
    • 1025.937
  • Synonym(s):
    • cis,cis-octadeca-9,12-dienoyl-CoA
    • (9Z,12Z)-octadeca-9,12-dienoyl-CoA
    • 18:2(n-6)

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCC=CCC=CCCCCCCCC(=O)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-" cannot be used as a page name in this wiki.




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