Difference between revisions of "CPD-12935"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OXYGEN-MOLECULE OXYGEN-MOLECULE] == * smiles: ** O=O * common name: ** oxygen * inchi key: ** I...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12935 CPD-12935] == * smiles: ** CC(C=CC=C(C)C=CC=C(C)C=O)=CC=CC=C(C)C=CC=C(C)C=CC1(C(C)(C)...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OXYGEN-MOLECULE OXYGEN-MOLECULE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12935 CPD-12935] ==
 
* smiles:
 
* smiles:
** O=O
+
** CC(C=CC=C(C)C=CC=C(C)C=O)=CC=CC=C(C)C=CC=C(C)C=CC1(C(C)(C)CCCC(C)=1)
 
* common name:
 
* common name:
** oxygen
+
** 4'-apo-β-carotenal
 
* inchi key:
 
* inchi key:
** InChIKey=MYMOFIZGZYHOMD-UHFFFAOYSA-N
+
** InChIKey=FTQSFEZUHZHOAT-BRZOAGJPSA-N
 
* molecular weight:
 
* molecular weight:
** 31.999    
+
** 482.748    
 
* Synonym(s):
 
* Synonym(s):
** oxygen molecule
+
** β-apo-4'-carotenal
 +
** 4'-apo-β,ψ-caroten-4'-al
 +
** 4'-apo-β,ψ-carotenal
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-11519]]
 
* [[RXN-13398]]
 
* [[OBFOOLor]]
 
* [[RXN-8026]]
 
* [[RXN-8025]]
 
* [[RXN0-1461]]
 
* [[RXN-7580]]
 
* [[RXN-715]]
 
* [[RXN-716]]
 
* [[RXN-13061]]
 
* [[L-ASPARTATE-OXID-RXN]]
 
* [[RXN-13064]]
 
* [[1.14.13.70-RXN]]
 
* [[RXN1F-167]]
 
* [[RXN-15684]]
 
* [[1.13.11.6-RXN]]
 
* [[RXN-4225]]
 
* [[RXN-171]]
 
* [[RXN-7677]]
 
* [[RXN66-12]]
 
* [[1.14.11.2-RXN]]
 
* [[RXN-7676]]
 
* [[RXN-7903]]
 
* [[LEUCPEL-RXN]]
 
* [[RXN-11680]]
 
* [[AMINEOXID-RXN]]
 
* [[RXN-11521]]
 
* [[RXN-11520]]
 
* [[RXN66-11]]
 
* [[1.14.13.78-RXN]]
 
* [[1.14.11.19-RXN]]
 
* [[RXN6666-4]]
 
* [[RXN66-81]]
 
* [[RXN-8389]]
 
* [[RXN66-146]]
 
* [[RXN-11057]]
 
* [[RXN-11056]]
 
* [[4-HYDROXYPHENYLPYRUVATE-DIOXYGENASE-RXN]]
 
* [[RXN-13707]]
 
* [[RXN-3661]]
 
* [[RXN-11535]]
 
* [[RXN0-5265]]
 
* [[RXN-7648]]
 
* [[RXN-17113]]
 
* [[RXN-16101]]
 
* [[RXN-7973]]
 
* [[RXN-7974]]
 
* [[NODOy]]
 
* [[NODOx]]
 
* [[R96]]
 
* [[RXN-15830]]
 
* [[R95]]
 
* [[CYSTEINE-DIOXYGENASE-RXN]]
 
* [[1.1.3.37-RXN]]
 
* [[RXN-12541]]
 
* [[RXN-5861]]
 
* [[RXN-5961]]
 
* [[RXN-5962]]
 
* [[RXN-4241]]
 
* [[RXN1F-163]]
 
* [[RXN-14796]]
 
* [[RXN-5282]]
 
* [[RXN-5283]]
 
* [[RXN-5284]]
 
* [[LIGNOSTILBENE-ALPHA-BETA-DIOXYGENASE-RXN]]
 
* [[ACYL-COA-OXIDASE-RXN]]
 
* [[RXN-10815]]
 
* [[THIOL-OXIDASE-RXN]]
 
* [[PNPOXI-RXN]]
 
* [[RXN-8872]]
 
* [[RXN-11784]]
 
* [[RXN-6381]]
 
* [[RXN66-305]]
 
* [[RXN-7775]]
 
* [[KYNURENINE-3-MONOOXYGENASE-RXN]]
 
* [[RXN-11989]]
 
* [[CYCLOHEXANONE-MONOOXYGENASE-RXN]]
 
* [[RXN-8346]]
 
* [[MONOPHENOL-MONOOXYGENASE-RXN]]
 
* [[RXN-1121]]
 
* [[1.14.13.79-RXN]]
 
* [[1.1.3.41-RXN]]
 
* [[RXN3O-218]]
 
* [[HPPD]]
 
* [[R07562]]
 
* [[RXN-11881]]
 
* [[RXN-113]]
 
* [[1.14.21.6-RXN]]
 
* [[RXN-115]]
 
* [[RXN-11026]]
 
* [[RXN66-26]]
 
* [[AMACETOXID-RXN]]
 
* [[RXN-698]]
 
* [[1.21.3.1-RXN]]
 
* [[RXN-7785]]
 
* [[UNSPECIFIC-MONOOXYGENASE-RXN]]
 
* [[RXN-7651]]
 
* [[1.8.3.5-RXN]]
 
* [[NARINGENIN-3-DIOXYGENASE-RXN]]
 
* [[RXN-8350]]
 
* [[HEME-OXYGENASE-DECYCLIZING-RXN]]
 
* [[RXN-16099]]
 
* [[1.14.13.8-RXN]]
 
* [[TRANS-CINNAMATE-4-MONOOXYGENASE-RXN]]
 
* [[CYTOCHROME-C-OXIDASE-RXN]]
 
* [[RXN-14775]]
 
* [[1.14.19.3-RXN]]
 
* [[RXN-14771]]
 
* [[RXN-602]]
 
* [[HOMOGENTISATE-12-DIOXYGENASE-RXN]]
 
* [[RXN3O-130]]
 
* [[RXN66-13]]
 
* [[RXN-10706]]
 
* [[RXN-10707]]
 
* [[CYSTEAMINE-DIOXYGENASE-RXN]]
 
* [[RXN66-304]]
 
* [[PEPTIDE-ASPARTATE-BETA-DIOXYGENASE-RXN]]
 
* [[RXN-5821]]
 
* [[RXN-14789]]
 
* [[RXN1F-93]]
 
* [[RXN-13193]]
 
* [[RXN66-169]]
 
* [[RXN-12510]]
 
* [[RXN-6550]]
 
* [[1.14.11.18-RXN]]
 
* [[RXN66-161]]
 
* [[RXN-14785]]
 
* [[RXN66-163]]
 
* [[RXN-12518]]
 
* [[HGDO]]
 
* [[ARGININE-2-MONOOXYGENASE-RXN]]
 
* [[RXN-13961]]
 
* [[RXN0-299]]
 
* [[RXN-12869]]
 
* [[PPPGO]]
 
* [[PROTOPORGENOXI-RXN]]
 
* [[RXN-7978]]
 
* [[RXN-774]]
 
* [[RXN-16226]]
 
* [[RXN-773]]
 
* [[RXN66-303]]
 
* [[RXN-7979]]
 
* [[PEPTIDYLGLYCINE-MONOOXYGENASE-RXN]]
 
* [[RXN-778]]
 
* [[RXN-527]]
 
* [[DEOXYHYPUSINE-MONOOXYGENASE-RXN]]
 
* [[RXN-12776]]
 
* [[TransportSeed_OXYGEN-MOLECULE]]
 
* [[RXN-4209]]
 
* [[RXN-14576]]
 
* [[RXN-8450]]
 
* [[RXN-12669]]
 
* [[RXN1F-168]]
 
* [[RXN-6883]]
 
* [[PMPOXI-RXN]]
 
* [[RXN1F-169]]
 
* [[RXN-10696]]
 
* [[RXN66-470]]
 
* [[RXN-16332]]
 
* [[XANTHINE-OXIDASE-RXN]]
 
* [[RXN-7922]]
 
* [[RXN-1321]]
 
* [[RXN-5242]]
 
* [[RXN1F-165]]
 
* [[RXN-16132]]
 
* [[RXN-16134]]
 
* [[RXN66-181]]
 
* [[RXN490-3641]]
 
* [[RXN-9926]]
 
* [[RXN-9597]]
 
* [[RXN-8630]]
 
* [[AMINEPHEN-RXN]]
 
* [[1.4.3.19-RXN]]
 
* [[R00357]]
 
* [[RXN-9600]]
 
* [[RXN-13374]]
 
* [[RXN1F-162]]
 
* [[ANXANor]]
 
* [[RXN-9843]]
 
* [[RXN-4230]]
 
* [[RXN-4231]]
 
* [[RXN1F-160]]
 
* [[RXN1F-161]]
 
* [[RXN-9844]]
 
* [[1.14.19.1-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-15448]]
+
* [[RXN-11989]]
* [[CATAL-RXN]]
+
* [[SUPEROX-DISMUT-RXN]]
+
* [[PSII-RXN]]
+
* [[TransportSeed_OXYGEN-MOLECULE]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[ExchangeSeed_OXYGEN-MOLECULE]]
 
* [[R371]]
 
 
== External links  ==
 
== External links  ==
* CAS : 7782-44-7
 
* BIGG : o2
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=977 977]
 
* HMDB : HMDB01377
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00007 C00007]
+
** [http://www.genome.jp/dbget-bin/www_bget?C19892 C19892]
* CHEMSPIDER:
+
** [http://www.chemspider.com/Chemical-Structure.952.html 952]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15379 15379]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=53157 53157]
* METABOLIGHTS : MTBLC15379
+
* PUBCHEM:
{{#set: smiles=O=O}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44224033 44224033]
{{#set: common name=oxygen}}
+
{{#set: smiles=CC(C=CC=C(C)C=CC=C(C)C=O)=CC=CC=C(C)C=CC=C(C)C=CC1(C(C)(C)CCCC(C)=1)}}
{{#set: inchi key=InChIKey=MYMOFIZGZYHOMD-UHFFFAOYSA-N}}
+
{{#set: common name=4'-apo-β-carotenal}}
{{#set: molecular weight=31.999   }}
+
{{#set: inchi key=InChIKey=FTQSFEZUHZHOAT-BRZOAGJPSA-N}}
{{#set: common name=oxygen molecule}}
+
{{#set: molecular weight=482.748   }}
{{#set: consumed by=RXN-11519|RXN-13398|OBFOOLor|RXN-8026|RXN-8025|RXN0-1461|RXN-7580|RXN-715|RXN-716|RXN-13061|L-ASPARTATE-OXID-RXN|RXN-13064|1.14.13.70-RXN|RXN1F-167|RXN-15684|1.13.11.6-RXN|RXN-4225|RXN-171|RXN-7677|RXN66-12|1.14.11.2-RXN|RXN-7676|RXN-7903|LEUCPEL-RXN|RXN-11680|AMINEOXID-RXN|RXN-11521|RXN-11520|RXN66-11|1.14.13.78-RXN|1.14.11.19-RXN|RXN6666-4|RXN66-81|RXN-8389|RXN66-146|RXN-11057|RXN-11056|4-HYDROXYPHENYLPYRUVATE-DIOXYGENASE-RXN|RXN-13707|RXN-3661|RXN-11535|RXN0-5265|RXN-7648|RXN-17113|RXN-16101|RXN-7973|RXN-7974|NODOy|NODOx|R96|RXN-15830|R95|CYSTEINE-DIOXYGENASE-RXN|1.1.3.37-RXN|RXN-12541|RXN-5861|RXN-5961|RXN-5962|RXN-4241|RXN1F-163|RXN-14796|RXN-5282|RXN-5283|RXN-5284|LIGNOSTILBENE-ALPHA-BETA-DIOXYGENASE-RXN|ACYL-COA-OXIDASE-RXN|RXN-10815|THIOL-OXIDASE-RXN|PNPOXI-RXN|RXN-8872|RXN-11784|RXN-6381|RXN66-305|RXN-7775|KYNURENINE-3-MONOOXYGENASE-RXN|RXN-11989|CYCLOHEXANONE-MONOOXYGENASE-RXN|RXN-8346|MONOPHENOL-MONOOXYGENASE-RXN|RXN-1121|1.14.13.79-RXN|1.1.3.41-RXN|RXN3O-218|HPPD|R07562|RXN-11881|RXN-113|1.14.21.6-RXN|RXN-115|RXN-11026|RXN66-26|AMACETOXID-RXN|RXN-698|1.21.3.1-RXN|RXN-7785|UNSPECIFIC-MONOOXYGENASE-RXN|RXN-7651|1.8.3.5-RXN|NARINGENIN-3-DIOXYGENASE-RXN|RXN-8350|HEME-OXYGENASE-DECYCLIZING-RXN|RXN-16099|1.14.13.8-RXN|TRANS-CINNAMATE-4-MONOOXYGENASE-RXN|CYTOCHROME-C-OXIDASE-RXN|RXN-14775|1.14.19.3-RXN|RXN-14771|RXN-602|HOMOGENTISATE-12-DIOXYGENASE-RXN|RXN3O-130|RXN66-13|RXN-10706|RXN-10707|CYSTEAMINE-DIOXYGENASE-RXN|RXN66-304|PEPTIDE-ASPARTATE-BETA-DIOXYGENASE-RXN|RXN-5821|RXN-14789|RXN1F-93|RXN-13193|RXN66-169|RXN-12510|RXN-6550|1.14.11.18-RXN|RXN66-161|RXN-14785|RXN66-163|RXN-12518|HGDO|ARGININE-2-MONOOXYGENASE-RXN|RXN-13961|RXN0-299|RXN-12869|PPPGO|PROTOPORGENOXI-RXN|RXN-7978|RXN-774|RXN-16226|RXN-773|RXN66-303|RXN-7979|PEPTIDYLGLYCINE-MONOOXYGENASE-RXN|RXN-778|RXN-527|DEOXYHYPUSINE-MONOOXYGENASE-RXN|RXN-12776|TransportSeed_OXYGEN-MOLECULE|RXN-4209|RXN-14576|RXN-8450|RXN-12669|RXN1F-168|RXN-6883|PMPOXI-RXN|RXN1F-169|RXN-10696|RXN66-470|RXN-16332|XANTHINE-OXIDASE-RXN|RXN-7922|RXN-1321|RXN-5242|RXN1F-165|RXN-16132|RXN-16134|RXN66-181|RXN490-3641|RXN-9926|RXN-9597|RXN-8630|AMINEPHEN-RXN|1.4.3.19-RXN|R00357|RXN-9600|RXN-13374|RXN1F-162|ANXANor|RXN-9843|RXN-4230|RXN-4231|RXN1F-160|RXN1F-161|RXN-9844|1.14.19.1-RXN}}
+
{{#set: common name=β-apo-4'-carotenal|4'-apo-β,ψ-caroten-4'-al|4'-apo-β,ψ-carotenal}}
{{#set: produced by=RXN-15448|CATAL-RXN|SUPEROX-DISMUT-RXN|PSII-RXN|TransportSeed_OXYGEN-MOLECULE}}
+
{{#set: produced by=RXN-11989}}
{{#set: reversible reaction associated=ExchangeSeed_OXYGEN-MOLECULE|R371}}
+

Latest revision as of 19:20, 21 March 2018

Metabolite CPD-12935

  • smiles:
    • CC(C=CC=C(C)C=CC=C(C)C=O)=CC=CC=C(C)C=CC=C(C)C=CC1(C(C)(C)CCCC(C)=1)
  • common name:
    • 4'-apo-β-carotenal
  • inchi key:
    • InChIKey=FTQSFEZUHZHOAT-BRZOAGJPSA-N
  • molecular weight:
    • 482.748
  • Synonym(s):
    • β-apo-4'-carotenal
    • 4'-apo-β,ψ-caroten-4'-al
    • 4'-apo-β,ψ-carotenal

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links