Difference between revisions of "CPD-9663"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19169 CPD-19169] == * smiles: ** CCCCCCCCC=CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9663 CPD-9663] == * smiles: ** C(O)C1(O)(C(O)C(O)C(O)C(=O)C1) * inchi key: ** InChIKey=JCZF...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19169 CPD-19169] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9663 CPD-9663] ==
 
* smiles:
 
* smiles:
** CCCCCCCCC=CCCCCCC(=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-]
+
** C(O)C1(O)(C(O)C(O)C(O)C(=O)C1)
 
* inchi key:
 
* inchi key:
** InChIKey=AVEYYKDEKGJVBU-BPMMELMSSA-J
+
** InChIKey=JCZFNXYQGNLHDQ-MVIOUDGNSA-N
 
* common name:
 
* common name:
** 3-oxo-(9Z)-octadecenoyl-CoA
+
** 2-epi-5-epi-valiolone
 
* molecular weight:
 
* molecular weight:
** 1041.936    
+
** 192.168    
 
* Synonym(s):
 
* Synonym(s):
** 3-oxo-18:1-Δ9-CoA
+
** (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one
** 3-oxo-9-cis-octadecenoyl-CoA
+
  
 
== 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-17777]]
+
* [[RXN-9140]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
{{#set: smiles=CCCCCCCCC=CCCCCCC(=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-]}}
+
* PUBCHEM:
{{#set: inchi key=InChIKey=AVEYYKDEKGJVBU-BPMMELMSSA-J}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201976 25201976]
{{#set: common name=3-oxo-(9Z)-octadecenoyl-CoA}}
+
* CHEBI:
{{#set: molecular weight=1041.936   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=84187 84187]
{{#set: common name=3-oxo-18:1-Δ9-CoA|3-oxo-9-cis-octadecenoyl-CoA}}
+
{{#set: smiles=C(O)C1(O)(C(O)C(O)C(O)C(=O)C1)}}
{{#set: produced by=RXN-17777}}
+
{{#set: inchi key=InChIKey=JCZFNXYQGNLHDQ-MVIOUDGNSA-N}}
 +
{{#set: common name=2-epi-5-epi-valiolone}}
 +
{{#set: molecular weight=192.168   }}
 +
{{#set: common name=(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one}}
 +
{{#set: produced by=RXN-9140}}

Latest revision as of 19:18, 21 March 2018

Metabolite CPD-9663

  • smiles:
    • C(O)C1(O)(C(O)C(O)C(O)C(=O)C1)
  • inchi key:
    • InChIKey=JCZFNXYQGNLHDQ-MVIOUDGNSA-N
  • common name:
    • 2-epi-5-epi-valiolone
  • molecular weight:
    • 192.168
  • Synonym(s):
    • (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links