Difference between revisions of "CPD-36"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OBTUSIFOLIOL OBTUSIFOLIOL] == * smiles: ** CC(C)C(=C)CCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-36 CPD-36] == * smiles: ** CC(=O)NC2(C(O)OC(CO)C(O)C(OC1(OC(C([O-])=O)=CC(O)C(O)1))2) * inc...")
 
(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=OBTUSIFOLIOL OBTUSIFOLIOL] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-36 CPD-36] ==
 
* smiles:
 
* smiles:
** CC(C)C(=C)CCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))
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** CC(=O)NC2(C(O)OC(CO)C(O)C(OC1(OC(C([O-])=O)=CC(O)C(O)1))2)
 
* inchi key:
 
* inchi key:
** InChIKey=MMNYKQIDRZNIKT-VSADUBDNSA-N
+
** InChIKey=DLGJWSVWTWEWBJ-ZTVLJYEESA-M
 
* common name:
 
* common name:
** obtusifoliol
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** 4-deoxy-β-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine
 
* molecular weight:
 
* molecular weight:
** 426.724    
+
** 378.312    
 
* Synonym(s):
 
* Synonym(s):
** 4α,14α-dimethyl-5α-ergosta-8,24(28)-dien-3β-ol
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** 4-deoxy-Δ4,5-β-D-GlcAp-(1→3)-β-D-GalNAc
** 4α,14α-dimethyl-24-methylene-5α-cholesta-8-en-3β-ol
+
** 3-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-galactose
 +
** 3-(4-deoxy-β-D-gluc-4-enuronosyl)-N-acetyl-D-galactosamine
 +
** chondroitin disaccharide (unsulfated)
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[1.14.13.70-RXN]]
+
* [[RXN-12178]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[CYCLOEUCALENOL-CYCLOISOMERASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203494 25203494]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878429 46878429]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17791 17791]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57850 57850]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C01943 C01943]
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** [http://www.genome.jp/dbget-bin/www_bget?C01310 C01310]
* HMDB : HMDB01242
+
{{#set: smiles=CC(=O)NC2(C(O)OC(CO)C(O)C(OC1(OC(C([O-])=O)=CC(O)C(O)1))2)}}
{{#set: smiles=CC(C)C(=C)CCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))}}
+
{{#set: inchi key=InChIKey=DLGJWSVWTWEWBJ-ZTVLJYEESA-M}}
{{#set: inchi key=InChIKey=MMNYKQIDRZNIKT-VSADUBDNSA-N}}
+
{{#set: common name=4-deoxy-β-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine}}
{{#set: common name=obtusifoliol}}
+
{{#set: molecular weight=378.312   }}
{{#set: molecular weight=426.724   }}
+
{{#set: common name=4-deoxy-Δ4,5-β-D-GlcAp-(1→3)-β-D-GalNAc|3-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-galactose|3-(4-deoxy-β-D-gluc-4-enuronosyl)-N-acetyl-D-galactosamine|chondroitin disaccharide (unsulfated)}}
{{#set: common name=4α,14α-dimethyl-5α-ergosta-8,24(28)-dien-3β-ol|4α,14α-dimethyl-24-methylene-5α-cholesta-8-en-3β-ol}}
+
{{#set: consumed by=RXN-12178}}
{{#set: consumed by=1.14.13.70-RXN}}
+
{{#set: produced by=CYCLOEUCALENOL-CYCLOISOMERASE-RXN}}
+

Latest revision as of 19:51, 21 March 2018

Metabolite CPD-36

  • smiles:
    • CC(=O)NC2(C(O)OC(CO)C(O)C(OC1(OC(C([O-])=O)=CC(O)C(O)1))2)
  • inchi key:
    • InChIKey=DLGJWSVWTWEWBJ-ZTVLJYEESA-M
  • common name:
    • 4-deoxy-β-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine
  • molecular weight:
    • 378.312
  • Synonym(s):
    • 4-deoxy-Δ4,5-β-D-GlcAp-(1→3)-β-D-GalNAc
    • 3-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-galactose
    • 3-(4-deoxy-β-D-gluc-4-enuronosyl)-N-acetyl-D-galactosamine
    • chondroitin disaccharide (unsulfated)

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=O)NC2(C(O)OC(CO)C(O)C(OC1(OC(C([O-])=O)=CC(O)C(O)1))2)" cannot be used as a page name in this wiki.