Difference between revisions of "CPD-1099"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10262 CPD-10262] == * smiles: ** CCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1099 CPD-1099] == * smiles: ** C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10262 CPD-10262] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1099 CPD-1099] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
+
** C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)O)
 
* inchi key:
 
* inchi key:
−
** InChIKey=NBCCUIHOHUKBMK-ZDDAFBBHSA-J
+
** InChIKey=MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
 
* common name:
 
* common name:
−
** trans-octadec-2-enoyl-CoA
+
** raffinose
 
* molecular weight:
 
* molecular weight:
−
** 1027.953    
+
** 504.441    
 
* Synonym(s):
 
* Synonym(s):
−
** trans-2,3-dihydro-stearenoyl-CoA
+
** melitose
−
** (2E)-octadecenoyl-CoA
+
** melitriose
 +
** gossypose
 +
** 6G-α-D-galactosylsucrose
 +
** (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
 +
** α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf
 +
** α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside
 +
** D-raffinose
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-9546]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-11501]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[2.4.1.67-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 512-69-6
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439242 439242]
 +
* KEGG-GLYCAN : G00249
 +
* HMDB : HMDB03213
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C16218 C16218]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00492 C00492]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.388379.html 388379]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71412 71412]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16634 16634]
−
* BIGG : 1452075
+
* METABOLIGHTS : MTBLC16634
−
* PUBCHEM:
+
{{#set: smiles=C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)O)}}
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244344 25244344]
+
{{#set: inchi key=InChIKey=MUPFEKGTMRGPLJ-ZQSKZDJDSA-N}}
−
* HMDB : HMDB06529
+
{{#set: common name=raffinose}}
−
{{#set: smiles=CCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}}
+
{{#set: molecular weight=504.441   }}
−
{{#set: inchi key=InChIKey=NBCCUIHOHUKBMK-ZDDAFBBHSA-J}}
+
{{#set: common name=melitose|melitriose|gossypose|6G-α-D-galactosylsucrose|(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf|α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside|D-raffinose}}
−
{{#set: common name=trans-octadec-2-enoyl-CoA}}
+
{{#set: produced by=RXN-11501}}
−
{{#set: molecular weight=1027.953   }}
+
{{#set: reversible reaction associated=2.4.1.67-RXN}}
−
{{#set: common name=trans-2,3-dihydro-stearenoyl-CoA|(2E)-octadecenoyl-CoA}}
+
−
{{#set: consumed by=RXN-9546}}
+

Latest revision as of 19:04, 21 March 2018

Metabolite CPD-1099

  • smiles:
    • C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)O)
  • inchi key:
    • InChIKey=MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
  • common name:
    • raffinose
  • molecular weight:
    • 504.441
  • Synonym(s):
    • melitose
    • melitriose
    • gossypose
    • 6G-α-D-galactosylsucrose
    • (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf
    • α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside
    • D-raffinose

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 512-69-6
  • PUBCHEM:
  • KEGG-GLYCAN : G00249
  • HMDB : HMDB03213
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC16634



{{#set: common name=melitose|melitriose|gossypose|6G-α-D-galactosylsucrose|(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf|α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside|D-raffinose}}


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