Difference between revisions of "CPD1F-126"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-170 CPD-170] == * smiles: ** C(O)C1(C(O)C(O)C(O)C(O1)OCC4(C(O)C(O)C(O)C(OCC3(C(O)C(O)C(O)C(...")
 
 
(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=CPD-170 CPD-170] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-126 CPD1F-126] ==
 
* smiles:
 
* smiles:
−
** C(O)C1(C(O)C(O)C(O)C(O1)OCC4(C(O)C(O)C(O)C(OCC3(C(O)C(O)C(O)C(OC2(CO)(C(O)C(O)C(CO)O2))O3))O4))
+
** CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1(C(C)(C)CCCC=1C))C)C)C)C)C)C
 +
* molecular weight:
 +
** 536.882   
 
* inchi key:
 
* inchi key:
−
** InChIKey=UQZIYBXSHAGNOE-XNSRJBNMSA-N
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** InChIKey=HRQKOYFGHJYEFS-BXOLYSJBSA-N
 
* common name:
 
* common name:
−
** stachyose
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** γ-carotene
−
* molecular weight:
+
−
** 666.583   
+
 
* Synonym(s):
 
* Synonym(s):
−
** (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
+
** β,ψ-carotene
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** α-D-Galp-(1->6)-α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-11501]]
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* [[RXN1F-151]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN1F-150]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[2.4.1.67-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 10094-58-3
+
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27740 27740]
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439531 439531]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280791 5280791]
−
* KEGG-GLYCAN : G00278
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−
* HMDB : HMDB03553
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* LIGAND-CPD:
 
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C01613 C01613]
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** [http://www.genome.jp/dbget-bin/www_bget?C05435 C05435]
 +
* LIPID_MAPS : LMPR01070260
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.388624.html 388624]
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** [http://www.chemspider.com/Chemical-Structure.4444349.html 4444349]
−
* CHEBI:
+
{{#set: smiles=CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1(C(C)(C)CCCC=1C))C)C)C)C)C)C}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17164 17164]
+
{{#set: molecular weight=536.882    }}
−
{{#set: smiles=C(O)C1(C(O)C(O)C(O)C(O1)OCC4(C(O)C(O)C(O)C(OCC3(C(O)C(O)C(O)C(OC2(CO)(C(O)C(O)C(CO)O2))O3))O4))}}
+
{{#set: inchi key=InChIKey=HRQKOYFGHJYEFS-BXOLYSJBSA-N}}
−
{{#set: inchi key=InChIKey=UQZIYBXSHAGNOE-XNSRJBNMSA-N}}
+
{{#set: common name=γ-carotene}}
−
{{#set: common name=stachyose}}
+
{{#set: common name=β,ψ-carotene}}
−
{{#set: molecular weight=666.583    }}
+
{{#set: consumed by=RXN1F-151}}
−
{{#set: common name=(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|α-D-Galp-(1->6)-α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf}}
+
{{#set: produced by=RXN1F-150}}
−
{{#set: consumed by=RXN-11501}}
+
−
{{#set: consumed or produced by=2.4.1.67-RXN}}
+

Latest revision as of 18:21, 9 January 2019

Metabolite CPD1F-126

  • smiles:
    • CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1(C(C)(C)CCCC=1C))C)C)C)C)C)C
  • molecular weight:
    • 536.882
  • inchi key:
    • InChIKey=HRQKOYFGHJYEFS-BXOLYSJBSA-N
  • common name:
    • γ-carotene
  • Synonym(s):
    • β,ψ-carotene

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=CPD1F-126&oldid=23005"