Difference between revisions of "6Z8E10E14Z-5S12R-512-DIHYDROXYI"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13755 CPD-13755] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[C...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=6Z8E10E14Z-5S12R-512-DIHYDROXYI 6Z8E10E14Z-5S12R-512-DIHYDROXYI] == * smiles: ** CCCCCC=CCC(O)C...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13755 CPD-13755] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=6Z8E10E14Z-5S12R-512-DIHYDROXYI 6Z8E10E14Z-5S12R-512-DIHYDROXYI] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
+
** CCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)[O-]
−
* inchi key:
+
−
** InChIKey=AKNIQSRWPADUMX-ODLRQIBISA-J
+
 
* common name:
 
* common name:
−
** 5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA
+
** leukotriene B4
 +
* inchi key:
 +
** InChIKey=VNYSSYRCGWBHLG-AMOLWHMGSA-M
 
* molecular weight:
 
* molecular weight:
−
** 985.786    
+
** 335.462    
 
* Synonym(s):
 
* Synonym(s):
−
** 5OH-HIP-CoA
+
** (6z,8e,10e,14z)-(5s,12r)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-12747]]
+
* [[LEUKOTRIENE-A4-HYDROLASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 71160-24-2
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=86290216 86290216]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=23615214 23615214]
 +
* HMDB : HMDB01085
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C02165 C02165]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=83738 83738]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57461 57461]
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]}}
+
* METABOLIGHTS : MTBLC57461
−
{{#set: inchi key=InChIKey=AKNIQSRWPADUMX-ODLRQIBISA-J}}
+
{{#set: smiles=CCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)[O-]}}
−
{{#set: common name=5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA}}
+
{{#set: common name=leukotriene B4}}
−
{{#set: molecular weight=985.786   }}
+
{{#set: inchi key=InChIKey=VNYSSYRCGWBHLG-AMOLWHMGSA-M}}
−
{{#set: common name=5OH-HIP-CoA}}
+
{{#set: molecular weight=335.462   }}
−
{{#set: produced by=RXN-12747}}
+
{{#set: common name=(6z,8e,10e,14z)-(5s,12r)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate}}
 +
{{#set: produced by=LEUKOTRIENE-A4-HYDROLASE-RXN}}

Latest revision as of 20:22, 21 March 2018

Metabolite 6Z8E10E14Z-5S12R-512-DIHYDROXYI

  • smiles:
    • CCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)[O-]
  • common name:
    • leukotriene B4
  • inchi key:
    • InChIKey=VNYSSYRCGWBHLG-AMOLWHMGSA-M
  • molecular weight:
    • 335.462
  • Synonym(s):
    • (6z,8e,10e,14z)-(5s,12r)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 71160-24-2
  • PUBCHEM:
  • HMDB : HMDB01085
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57461
"CCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)[O-" cannot be used as a page name in this wiki.



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