Difference between revisions of "RXN-11569"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THYMIDINE THYMIDINE] == * smiles: ** CC1(=CN(C(=O)NC(=O)1)C2(CC(O)C(CO)O2)) * inchi key: ** InC...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=KDO-LIPID-IVA KDO-LIPID-IVA] == * smiles: ** CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THYMIDINE THYMIDINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=KDO-LIPID-IVA KDO-LIPID-IVA] ==
 
* smiles:
 
* smiles:
−
** CC1(=CN(C(=O)NC(=O)1)C2(CC(O)C(CO)O2))
+
** CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C3))OP([O-])([O-])=O))
 
* inchi key:
 
* inchi key:
−
** InChIKey=IQFYYKKMVGJFEH-XLPZGREQSA-N
+
** InChIKey=GPNCBCJEDRRCDW-XFULRARUSA-I
 
* common name:
 
* common name:
−
** thymidine
+
** α-Kdo-(2→6)-lipid IVA
 
* molecular weight:
 
* molecular weight:
−
** 242.231    
+
** 1620.861    
 
* Synonym(s):
 
* Synonym(s):
−
** deoxythymidine
+
** 3-Deoxy-D-manno-octulosonyl-lipid IV(A)
 +
** 3-deoxy-α-D-manno-oct-2-ulopyranosyl-(2->6)-2-deoxy-2-{[(3R)-3-hydroxypentadecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phosphono-β-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose
 +
** (KDO)-lipid IVA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[KDOTRANS2-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[TPH]]
+
* [[KDOTRANS-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[THYM-PHOSPH-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 50-89-5
 
−
* METABOLIGHTS : MTBLC17748
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5789 5789]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820572 91820572]
−
* HMDB : HMDB00273
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00214 C00214]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.1102.html 1102]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17748 17748]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60364 60364]
−
* BIGG : thymd
+
* BIGG : kdolipid4
−
{{#set: smiles=CC1(=CN(C(=O)NC(=O)1)C2(CC(O)C(CO)O2))}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=IQFYYKKMVGJFEH-XLPZGREQSA-N}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C06024 C06024]
−
{{#set: common name=thymidine}}
+
{{#set: smiles=CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C3))OP([O-])([O-])=O))}}
−
{{#set: molecular weight=242.231   }}
+
{{#set: inchi key=InChIKey=GPNCBCJEDRRCDW-XFULRARUSA-I}}
−
{{#set: common name=deoxythymidine}}
+
{{#set: common name=α-Kdo-(2→6)-lipid IVA}}
−
{{#set: produced by=TPH}}
+
{{#set: molecular weight=1620.861   }}
−
{{#set: consumed or produced by=THYM-PHOSPH-RXN}}
+
{{#set: common name=3-Deoxy-D-manno-octulosonyl-lipid IV(A)|3-deoxy-α-D-manno-oct-2-ulopyranosyl-(2->6)-2-deoxy-2-{[(3R)-3-hydroxypentadecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phosphono-β-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose|(KDO)-lipid IVA}}
 +
{{#set: consumed by=KDOTRANS2-RXN}}
 +
{{#set: produced by=KDOTRANS-RXN}}

Revision as of 17:23, 10 January 2018

Metabolite KDO-LIPID-IVA

  • smiles:
    • CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C3))OP([O-])([O-])=O))
  • inchi key:
    • InChIKey=GPNCBCJEDRRCDW-XFULRARUSA-I
  • common name:
    • α-Kdo-(2→6)-lipid IVA
  • molecular weight:
    • 1620.861
  • Synonym(s):
    • 3-Deoxy-D-manno-octulosonyl-lipid IV(A)
    • 3-deoxy-α-D-manno-oct-2-ulopyranosyl-(2->6)-2-deoxy-2-{[(3R)-3-hydroxypentadecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phosphono-β-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose
    • (KDO)-lipid IVA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C3))OP([O-])([O-])=O))" cannot be used as a page name in this wiki.


"3-deoxy-α-D-manno-oct-2-ulopyranosyl-(2->6)-2-deoxy-2-{[(3R)-3-hydroxypentadecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phosphono-β-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose" cannot be used as a page name in this wiki.


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