Difference between revisions of "Tiso gene 787"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=D-ALANINE D-ALANINE] == * smiles: ** CC([N+])C([O-])=O * inchi key: ** InChIKey=QNAYBMKLOCPYGJ-...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17347 CPD-17347] == * smiles: ** CCCCCC=CCC=CCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)C...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=D-ALANINE D-ALANINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17347 CPD-17347] ==
 
* smiles:
 
* smiles:
** CC([N+])C([O-])=O
+
** CCCCCC=CCC=CCCCCCCCC(O)CC(=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=QNAYBMKLOCPYGJ-UWTATZPHSA-N
+
** InChIKey=MNTSLNSVZACNCX-JPDDAYGWSA-J
 
* common name:
 
* common name:
** D-alanine
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** (3R)-hydroxy-(11Z,14Z)-icosa-11,14-dienoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 89.094    
+
** 1069.99    
 
* Synonym(s):
 
* Synonym(s):
 +
** (3R)-hydroxy-20:2Δ11,14
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-16096]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-11351]]
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* [[RXN-16095]]
* [[3.4.16.4-RXN]]
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* [[RXN-16649]]
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* [[RXN-16659]]
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* [[RXN-11065]]
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* [[RXN-11302]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[ALARACECAT-RXN]]
 
* [[D-ALANINE-AMINOTRANSFERASE-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 338-69-2
 
* METABOLIGHTS : MTBLC57416
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7311725 7311725]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193805 72193805]
* HMDB : HMDB01310
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00133 C00133]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57416 57416]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76408 76408]
* BIGG : ala__D
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{{#set: smiles=CCCCCC=CCC=CCCCCCCCC(O)CC(=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: smiles=CC([N+])C([O-])=O}}
+
{{#set: inchi key=InChIKey=MNTSLNSVZACNCX-JPDDAYGWSA-J}}
{{#set: inchi key=InChIKey=QNAYBMKLOCPYGJ-UWTATZPHSA-N}}
+
{{#set: common name=(3R)-hydroxy-(11Z,14Z)-icosa-11,14-dienoyl-CoA}}
{{#set: common name=D-alanine}}
+
{{#set: molecular weight=1069.99   }}
{{#set: molecular weight=89.094   }}
+
{{#set: common name=(3R)-hydroxy-20:2Δ11,14}}
{{#set: produced by=RXN-11351|3.4.16.4-RXN|RXN-16649|RXN-16659|RXN-11065|RXN-11302}}
+
{{#set: consumed by=RXN-16096}}
{{#set: consumed or produced by=ALARACECAT-RXN|D-ALANINE-AMINOTRANSFERASE-RXN}}
+
{{#set: produced by=RXN-16095}}

Revision as of 16:49, 10 January 2018

Metabolite CPD-17347

  • smiles:
    • CCCCCC=CCC=CCCCCCCCC(O)CC(=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=MNTSLNSVZACNCX-JPDDAYGWSA-J
  • common name:
    • (3R)-hydroxy-(11Z,14Z)-icosa-11,14-dienoyl-CoA
  • molecular weight:
    • 1069.99
  • Synonym(s):
    • (3R)-hydroxy-20:2Δ11,14

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)CC(=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.