Difference between revisions of "KDO-LIPID-IVA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACET ACET] == * smiles: ** CC([O-])=O * inchi key: ** InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M * co...")
(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...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACET ACET] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=KDO-LIPID-IVA KDO-LIPID-IVA] ==
 
* smiles:
 
* smiles:
** CC([O-])=O
+
** 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=QTBSBXVTEAMEQO-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
** acetate
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** α-Kdo-(2→6)-lipid IVA
 +
* inchi key:
 +
** InChIKey=GPNCBCJEDRRCDW-XFULRARUSA-I
 
* molecular weight:
 
* molecular weight:
** 59.044    
+
** 1620.861    
 
* Synonym(s):
 
* Synonym(s):
** acetic acid
+
** 3-Deoxy-D-manno-octulosonyl-lipid IV(A)
** ethanoic acid
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** 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 ==
* [[ACETATE--COA-LIGASE-RXN]]
+
* [[KDOTRANS2-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[UDPACYLGLCNACDEACETYL-RXN]]
+
* [[KDOTRANS-RXN]]
* [[ACHMSSELCYSL]]
+
* [[AODAA]]
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* [[ACETYLCHOLINESTERASE-RXN]]
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* [[3.1.1.47-RXN]]
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* [[ALDDH]]
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* [[RXN-13181]]
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* [[ALDDHm]]
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* [[APhi]]
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* [[RXN-12726]]
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* [[SIALATE-O-ACETYLESTERASE-RXN]]
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* [[RXN0-3962]]
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* [[RXN66-3]]
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* [[RXN-13182]]
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* [[ACHMSSELCYSLh]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-13680]]
 
* [[3.5.1.98-RXN]]
 
* [[RXN-13684]]
 
* [[SULFOCYS-RXN]]
 
* [[ACETYLORNDEACET-RXN]]
 
* [[ACETYLHOMOSER-CYS-RXN]]
 
* [[RXN-14728]]
 
* [[ACSERLY-RXN]]
 
* [[ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.]]
 
 
== External links  ==
 
== External links  ==
* CAS : 64-19-7
 
* CAS : 71-50-1
 
* METABOLIGHTS : MTBLC30089
 
* DRUGBANK : DB03166
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=175 175]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820572 91820572]
* HMDB : HMDB00042
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00033 C00033]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.170.html 170]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30089 30089]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60364 60364]
* BIGG : ac
+
* BIGG : kdolipid4
{{#set: smiles=CC([O-])=O}}
+
* LIGAND-CPD:
{{#set: inchi key=InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C06024 C06024]
{{#set: common name=acetate}}
+
{{#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=59.044   }}
+
{{#set: common name=α-Kdo-(2→6)-lipid IVA}}
{{#set: common name=acetic acid|ethanoic acid}}
+
{{#set: inchi key=InChIKey=GPNCBCJEDRRCDW-XFULRARUSA-I}}
{{#set: consumed by=ACETATE--COA-LIGASE-RXN}}
+
{{#set: molecular weight=1620.861   }}
{{#set: produced by=UDPACYLGLCNACDEACETYL-RXN|ACHMSSELCYSL|AODAA|ACETYLCHOLINESTERASE-RXN|3.1.1.47-RXN|ALDDH|RXN-13181|ALDDHm|APhi|RXN-12726|SIALATE-O-ACETYLESTERASE-RXN|RXN0-3962|RXN66-3|RXN-13182|ACHMSSELCYSLh}}
+
{{#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: reversible reaction associated=RXN-13680|3.5.1.98-RXN|RXN-13684|SULFOCYS-RXN|ACETYLORNDEACET-RXN|ACETYLHOMOSER-CYS-RXN|RXN-14728|ACSERLY-RXN|ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.}}
+
{{#set: consumed by=KDOTRANS2-RXN}}
 +
{{#set: produced by=KDOTRANS-RXN}}

Latest revision as of 20:15, 21 March 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))
  • common name:
    • α-Kdo-(2→6)-lipid IVA
  • inchi key:
    • InChIKey=GPNCBCJEDRRCDW-XFULRARUSA-I
  • 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.