Difference between revisions of "CPD-7830"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NADPH NADPH] == * smiles: ** C5(N(C1(OC(C(C1O)O)COP(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7830 CPD-7830] == * smiles: ** CCCCCCCCCCCCCCCCC([O-])=O * inchi key: ** InChIKey=KEMQGTRYU...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NADPH NADPH] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7830 CPD-7830] ==
 
* smiles:
 
* smiles:
** C5(N(C1(OC(C(C1O)O)COP(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))C=C(CC=5)C(=O)N)
+
** CCCCCCCCCCCCCCCCC([O-])=O
 
* inchi key:
 
* inchi key:
** InChIKey=ACFIXJIJDZMPPO-NNYOXOHSSA-J
+
** InChIKey=KEMQGTRYUADPNZ-UHFFFAOYSA-M
 
* common name:
 
* common name:
** NADPH
+
** heptadecanoate
 
* molecular weight:
 
* molecular weight:
** 741.394    
+
** 269.446    
 
* Synonym(s):
 
* Synonym(s):
** reduced nicotinamide adenine dinucleotide phosphate
+
** margaric acid
** NADPH2
+
** margarate
** dihydrotriphosphopyridine nucleotide
+
** heptadecanoic acid
** reduced dihydrotriphosphopyridine nucleotide
+
** dihydronicotinamide adenine dinucleotide phosphate
+
** dihydronicotinamide adenine dinucleotide phosphate reduced
+
** reduced NADP
+
** NADP-red
+
** TPNH
+
** dihydronicotinamide adenine dinucleotide-P
+
** β-NADPH
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN1G-1053]]
 
* [[RXN66-482]]
 
* [[GDR_nadp]]
 
* [[G5DHm]]
 
* [[1.14.13.78-RXN]]
 
* [[RXN-16616]]
 
* [[OBFOOLor]]
 
* [[RXN1G-182]]
 
* [[RXN-711]]
 
* [[RXN-16129]]
 
* [[RXN-715]]
 
* [[RXN1G-349]]
 
* [[RXN-4144]]
 
* [[R01251]]
 
* [[RXN-600]]
 
* [[1.14.13.70-RXN]]
 
* [[RXN-7665]]
 
* [[RETINOLSAT]]
 
* [[RXN-13298]]
 
* [[RXN-7666]]
 
* [[RXN0-300]]
 
* [[RXN1G-1050]]
 
* [[RXN66-323]]
 
* [[RXN-13307]]
 
* [[RXN-13306]]
 
* [[RXN-13301]]
 
* [[RXN-13300]]
 
* [[RXN-17678]]
 
* [[RXN-4225]]
 
* [[PROGESTERONE-5-ALPHA-REDUCTASE-RXN]]
 
* [[RXN-13308]]
 
* [[RXN66-12]]
 
* [[RXN-17109]]
 
* [[RXN1G-157]]
 
* [[RXN-7677]]
 
* [[RXN-7676]]
 
* [[FATTY-ACYL-COA-SYNTHASE-RXN]]
 
* [[RXN-4241]]
 
* [[EPMEACPR]]
 
* [[UDPNACETYLMURAMATEDEHYDROG-RXN]]
 
* [[1.2.1.13-RXN]]
 
* [[RXN-7784]]
 
* [[RXN-16154]]
 
* [[RXN66-11]]
 
* [[RXN-9538]]
 
* [[RXN0-2142]]
 
* [[RXN-13398]]
 
* [[RXN-9528]]
 
* [[RXN1G-358]]
 
* [[RXN-16112]]
 
* [[RXN-3142]]
 
* [[RXN-15046]]
 
* [[RXN66-14]]
 
* [[RXN-10625]]
 
* [[RXN-7580]]
 
* [[RXN1G-617]]
 
* [[GLUTSEMIALDEHYDROG-RXN]]
 
* [[RXN1G-613]]
 
* [[RXN1G-260]]
 
* [[RXN1G-184]]
 
* [[MERCURY-II-REDUCTASE-RXN]]
 
* [[RXN1G-508]]
 
* [[EGMEACPR]]
 
* [[RXN-13707]]
 
* [[RXN-9536]]
 
* [[RXN-9534]]
 
* [[RXN-9532]]
 
* [[RXN-9530]]
 
* [[RXN-14014]]
 
* [[RXN-11881]]
 
* [[RXN1G-203]]
 
* [[RXN-7711]]
 
* [[R07219]]
 
* [[RXN-1106]]
 
* [[RXN-7698]]
 
* [[RXN-1102]]
 
* [[RXN-1101]]
 
* [[R96]]
 
* [[RXN66-343]]
 
* [[R95]]
 
* [[IDS2]]
 
* [[IDS1]]
 
* [[2.3.1.165-RXN]]
 
* [[RXN-9633]]
 
* [[RXN-5961]]
 
* [[RXN-7664]]
 
* [[RXN-5962]]
 
* [[RXN-9521]]
 
* [[RXN-9524]]
 
* [[ALCDH_nadp_i]]
 
* [[RXN-9526]]
 
* [[RXN-17428]]
 
* [[RXN1A0-6303]]
 
* [[RXN0-1281]]
 
* [[RXN1G-1247]]
 
* [[RXN-5282]]
 
* [[RXN-5283]]
 
* [[RXN-5284]]
 
* [[RXN-16765]]
 
* [[RXN-5286]]
 
* [[NADPH-DEHYDROGENASE-FLAVIN-RXN]]
 
* [[GLUTRNAREDUCT-RXN]]
 
* [[ENOYL-ACP-REDUCT-NADPH-RXN]]
 
* [[RXN1G-252]]
 
* [[RXN1G-951]]
 
* [[RXN-11382]]
 
* [[RXN-9723]]
 
* [[RXN-9540]]
 
* [[RXN-9556]]
 
* [[R01775]]
 
* [[RXN-9552]]
 
* [[RXN-14484]]
 
* [[RXN-707]]
 
* [[RXN-13431]]
 
* [[KYNURENINE-3-MONOOXYGENASE-RXN]]
 
* [[RXN-4210]]
 
* [[CYCLOHEXANONE-MONOOXYGENASE-RXN]]
 
* [[RXN-1125]]
 
* [[RXN-10060]]
 
* [[GMP-REDUCT-RXN]]
 
* [[RXN-1121]]
 
* [[RXN1G-469]]
 
* [[RXN1G-262]]
 
* [[RXN-16131]]
 
* [[3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN]]
 
* [[1.14.13.79-RXN]]
 
* [[RXN-13008]]
 
* [[RXN-11535]]
 
* [[G5DH]]
 
* [[RXN1G-384]]
 
* [[RXN-14973]]
 
* [[RXN-14972]]
 
* [[1.1.1.271-RXN]]
 
* [[RXN66-27]]
 
* [[GLUTAMATESYN-RXN]]
 
* [[RIBOFLAVINSYNREDUC-RXN]]
 
* [[RXN-9544]]
 
* [[RXN-9542]]
 
* [[FLAVONADPREDUCT-RXN]]
 
* [[RXN-10655]]
 
* [[RXN-7651]]
 
* [[RXN-5901]]
 
* [[R01747]]
 
* [[RXN1G-163]]
 
* [[RXN1G-481]]
 
* [[RXN-16626]]
 
* [[RXN-16097]]
 
* [[1.5.1.8-RXN]]
 
* [[RXN-14493]]
 
* [[1.14.13.8-RXN]]
 
* [[TRANS-CINNAMATE-4-MONOOXYGENASE-RXN]]
 
* [[2-DEHYDROPANTOATE-REDUCT-RXN]]
 
* [[RXN1G-881]]
 
* [[RXN-9725]]
 
* [[R05068]]
 
* [[THIOREDOXIN-REDUCT-NADPH-RXN]]
 
* [[RXN-13299]]
 
* [[GLYOXYLATE-REDUCTASE-NADP+-RXN]]
 
* [[RXN-16017]]
 
* [[RXN3O-130]]
 
* [[RXN66-13]]
 
* [[RXN-10659]]
 
* [[ACETOOHBUTREDUCTOISOM-RXN]]
 
* [[RXN-17897]]
 
* [[GLUTATHIONE-REDUCT-NADPH-RXN]]
 
* [[RXN-13309]]
 
* [[RXN1G-717]]
 
* [[DTDPDEHYRHAMREDUCT-RXN]]
 
* [[RXN-12747]]
 
* [[RXN1G-364]]
 
* [[RXN-12510]]
 
* [[ALCDH_nadp_hi]]
 
* [[SHIKIMATE-5-DEHYDROGENASE-RXN]]
 
* [[RXN-11476]]
 
* [[RXN-13961]]
 
* [[NODOy]]
 
* [[RXN1G-240]]
 
* [[RXN-16630]]
 
* [[RXN66-305]]
 
* [[RXN66-304]]
 
* [[RXN66-306]]
 
* [[RXN-773]]
 
* [[RXN66-303]]
 
* [[RXN1G-408]]
 
* [[RXN1G-409]]
 
* [[RXN1G-853]]
 
* [[RXN-778]]
 
* [[RXN3O-5293]]
 
* [[RXN1G-287]]
 
* [[RXN-11002]]
 
* [[RXN-11480]]
 
* [[RXN-16095]]
 
* [[RXN-5285]]
 
* [[R00939]]
 
* [[3-OXOACYL-ACP-REDUCT-RXN]]
 
* [[RXN1G-72]]
 
* [[RXN66-81]]
 
* [[RXN-16622]]
 
* [[TRANSENOYLCOARED-RXN]]
 
* [[RXN-15006]]
 
* [[RXN0-5141]]
 
* [[RXN-9724]]
 
* [[MTHFO_nadp]]
 
* [[DIHYDROKAEMPFEROL-4-REDUCTASE-RXN]]
 
* [[1.5.1.19-RXN]]
 
* [[RXN-5242]]
 
* [[GDR_nadp_h]]
 
* [[DIHYDROFOLATEREDUCT-RXN]]
 
* [[R03845]]
 
* [[GDR_nadp_m]]
 
* [[RXN1F-160]]
 
* [[RXN1G-637]]
 
* [[RXN1F-161]]
 
* [[RXN-9518]]
 
* [[ANXANor]]
 
* [[RXN-4230]]
 
* [[RXN-4231]]
 
* [[RXN-9514]]
 
* [[RXN-9515]]
 
* [[3-DEHYDROSPHINGANINE-REDUCTASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[FNorh]]
+
* [[RXN66-476-CPD-14719/NAD/WATER//CPD-7830/NADH/PROTON.42.]]
* [[SUCCSEMIALDDEHYDROG-RXN]]
+
* [[RXN-924]]
+
* [[RXN-8014]]
+
* [[RXN-9952]]
+
* [[FTHFO]]
+
* [[MALIC-NADP-RXN]]
+
* [[G6PBDHh]]
+
* [[ALDEHYDE-DEHYDROGENASE-NADP+-RXN]]
+
* [[ABor]]
+
* [[R93]]
+
* [[RXN0-3962]]
+
* [[GLU6PDEHYDROG-RXN]]
+
* [[R94]]
+
* [[RXN-16001]]
+
* [[RXN-16000]]
+
* [[BENZALDEHYDE-DEHYDROGENASE-NADP+-RXN]]
+
* [[G6PADHh]]
+
* [[1.18.1.2-RXN]]
+
* [[RXN-779]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-7660]]
 
* [[TROPINE-DEHYDROGENASE-RXN]]
 
* [[ISOCITDEH-RXN]]
 
* [[RXN-12078]]
 
* [[N-ACETYLGLUTPREDUCT-RXN]]
 
* [[1.3.99.5-RXN]]
 
* [[LONG-CHAIN-FATTY-ACYL-COA-REDUCTASE-RXN]]
 
* [[GLUTDEHYD-RXN]]
 
* [[R371]]
 
* [[METHYLENETHFDEHYDROG-NADP-RXN]]
 
* [[1.1.1.34-RXN]]
 
* [[HBCO_nadp]]
 
* [[RXN-7658]]
 
* [[DXPREDISOM-RXN]]
 
* [[RXN-12560]]
 
* [[RXN-7659]]
 
* [[MTHFor_nadp]]
 
* [[CARBONYL-REDUCTASE-NADPH-RXN]]
 
* [[RXN-1124]]
 
* [[ARYL-ALCOHOL-DEHYDROGENASE-NADP+-RXN]]
 
* [[RXN-8773]]
 
* [[1.3.1.20-RXN]]
 
* [[PYRIDOXINE-4-DEHYDROGENASE-RXN]]
 
* [[CORTISONE-ALPHA-REDUCTASE-RXN]]
 
* [[RXN-9951]]
 
* [[RXN-12484]]
 
* [[G3PD2]]
 
* [[ACETOLACTREDUCTOISOM-RXN]]
 
* [[ASPARTATE-SEMIALDEHYDE-DEHYDROGENASE-RXN]]
 
* [[R369]]
 
* [[RXN1F-10]]
 
* [[R01220]]
 
* [[PROLINE-MULTI]]
 
* [[RME298]]
 
* [[GLYCEROL-DEHYDROGENASE-NADP+-RXN]]
 
* [[CHOLESTENONE-5-ALPHA-REDUCTASE-RXN]]
 
* [[1.1.1.274-RXN]]
 
* [[RXN-13279]]
 
* [[RXN-14209]]
 
* [[RXN-8772]]
 
 
== External links  ==
 
== External links  ==
* CAS : 2646-71-1
 
* METABOLIGHTS : MTBLC57783
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=15983949 15983949]
 
* HMDB : HMDB00221
 
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C00005 C00005]
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.10239199.html 10239199]
 
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57783 57783]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32366 32366]
* BIGG : nadph
+
* CHEMSPIDER:
{{#set: smiles=C5(N(C1(OC(C(C1O)O)COP(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))C=C(CC=5)C(=O)N)}}
+
** [http://www.chemspider.com/Chemical-Structure.3327058.html 3327058]
{{#set: inchi key=InChIKey=ACFIXJIJDZMPPO-NNYOXOHSSA-J}}
+
* Wikipedia : Heptadecanoic_acid
{{#set: common name=NADPH}}
+
* METABOLIGHTS : MTBLC32366
{{#set: molecular weight=741.394   }}
+
* PUBCHEM:
{{#set: common name=reduced nicotinamide adenine dinucleotide phosphate|NADPH2|dihydrotriphosphopyridine nucleotide|reduced dihydrotriphosphopyridine nucleotide|dihydronicotinamide adenine dinucleotide phosphate|dihydronicotinamide adenine dinucleotide phosphate reduced|reduced NADP|NADP-red|TPNH|dihydronicotinamide adenine dinucleotide-P|β-NADPH}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4113470 4113470]
{{#set: consumed by=RXN1G-1053|RXN66-482|GDR_nadp|G5DHm|1.14.13.78-RXN|RXN-16616|OBFOOLor|RXN1G-182|RXN-711|RXN-16129|RXN-715|RXN1G-349|RXN-4144|R01251|RXN-600|1.14.13.70-RXN|RXN-7665|RETINOLSAT|RXN-13298|RXN-7666|RXN0-300|RXN1G-1050|RXN66-323|RXN-13307|RXN-13306|RXN-13301|RXN-13300|RXN-17678|RXN-4225|PROGESTERONE-5-ALPHA-REDUCTASE-RXN|RXN-13308|RXN66-12|RXN-17109|RXN1G-157|RXN-7677|RXN-7676|FATTY-ACYL-COA-SYNTHASE-RXN|RXN-4241|EPMEACPR|UDPNACETYLMURAMATEDEHYDROG-RXN|1.2.1.13-RXN|RXN-7784|RXN-16154|RXN66-11|RXN-9538|RXN0-2142|RXN-13398|RXN-9528|RXN1G-358|RXN-16112|RXN-3142|RXN-15046|RXN66-14|RXN-10625|RXN-7580|RXN1G-617|GLUTSEMIALDEHYDROG-RXN|RXN1G-613|RXN1G-260|RXN1G-184|MERCURY-II-REDUCTASE-RXN|RXN1G-508|EGMEACPR|RXN-13707|RXN-9536|RXN-9534|RXN-9532|RXN-9530|RXN-14014|RXN-11881|RXN1G-203|RXN-7711|R07219|RXN-1106|RXN-7698|RXN-1102|RXN-1101|R96|RXN66-343|R95|IDS2|IDS1|2.3.1.165-RXN|RXN-9633|RXN-5961|RXN-7664|RXN-5962|RXN-9521|RXN-9524|ALCDH_nadp_i|RXN-9526|RXN-17428|RXN1A0-6303|RXN0-1281|RXN1G-1247|RXN-5282|RXN-5283|RXN-5284|RXN-16765|RXN-5286|NADPH-DEHYDROGENASE-FLAVIN-RXN|GLUTRNAREDUCT-RXN|ENOYL-ACP-REDUCT-NADPH-RXN|RXN1G-252|RXN1G-951|RXN-11382|RXN-9723|RXN-9540|RXN-9556|R01775|RXN-9552|RXN-14484|RXN-707|RXN-13431|KYNURENINE-3-MONOOXYGENASE-RXN|RXN-4210|CYCLOHEXANONE-MONOOXYGENASE-RXN|RXN-1125|RXN-10060|GMP-REDUCT-RXN|RXN-1121|RXN1G-469|RXN1G-262|RXN-16131|3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN|1.14.13.79-RXN|RXN-13008|RXN-11535|G5DH|RXN1G-384|RXN-14973|RXN-14972|1.1.1.271-RXN|RXN66-27|GLUTAMATESYN-RXN|RIBOFLAVINSYNREDUC-RXN|RXN-9544|RXN-9542|FLAVONADPREDUCT-RXN|RXN-10655|RXN-7651|RXN-5901|R01747|RXN1G-163|RXN1G-481|RXN-16626|RXN-16097|1.5.1.8-RXN|RXN-14493|1.14.13.8-RXN|TRANS-CINNAMATE-4-MONOOXYGENASE-RXN|2-DEHYDROPANTOATE-REDUCT-RXN|RXN1G-881|RXN-9725|R05068|THIOREDOXIN-REDUCT-NADPH-RXN|RXN-13299|GLYOXYLATE-REDUCTASE-NADP+-RXN|RXN-16017|RXN3O-130|RXN66-13|RXN-10659|ACETOOHBUTREDUCTOISOM-RXN|RXN-17897|GLUTATHIONE-REDUCT-NADPH-RXN|RXN-13309|RXN1G-717|DTDPDEHYRHAMREDUCT-RXN|RXN-12747|RXN1G-364|RXN-12510|ALCDH_nadp_hi|SHIKIMATE-5-DEHYDROGENASE-RXN|RXN-11476|RXN-13961|NODOy|RXN1G-240|RXN-16630|RXN66-305|RXN66-304|RXN66-306|RXN-773|RXN66-303|RXN1G-408|RXN1G-409|RXN1G-853|RXN-778|RXN3O-5293|RXN1G-287|RXN-11002|RXN-11480|RXN-16095|RXN-5285|R00939|3-OXOACYL-ACP-REDUCT-RXN|RXN1G-72|RXN66-81|RXN-16622|TRANSENOYLCOARED-RXN|RXN-15006|RXN0-5141|RXN-9724|MTHFO_nadp|DIHYDROKAEMPFEROL-4-REDUCTASE-RXN|1.5.1.19-RXN|RXN-5242|GDR_nadp_h|DIHYDROFOLATEREDUCT-RXN|R03845|GDR_nadp_m|RXN1F-160|RXN1G-637|RXN1F-161|RXN-9518|ANXANor|RXN-4230|RXN-4231|RXN-9514|RXN-9515|3-DEHYDROSPHINGANINE-REDUCTASE-RXN}}
+
{{#set: smiles=CCCCCCCCCCCCCCCCC([O-])=O}}
{{#set: produced by=FNorh|SUCCSEMIALDDEHYDROG-RXN|RXN-924|RXN-8014|RXN-9952|FTHFO|MALIC-NADP-RXN|G6PBDHh|ALDEHYDE-DEHYDROGENASE-NADP+-RXN|ABor|R93|RXN0-3962|GLU6PDEHYDROG-RXN|R94|RXN-16001|RXN-16000|BENZALDEHYDE-DEHYDROGENASE-NADP+-RXN|G6PADHh|1.18.1.2-RXN|RXN-779}}
+
{{#set: inchi key=InChIKey=KEMQGTRYUADPNZ-UHFFFAOYSA-M}}
{{#set: reversible reaction associated=RXN-7660|TROPINE-DEHYDROGENASE-RXN|ISOCITDEH-RXN|RXN-12078|N-ACETYLGLUTPREDUCT-RXN|1.3.99.5-RXN|LONG-CHAIN-FATTY-ACYL-COA-REDUCTASE-RXN|GLUTDEHYD-RXN|R371|METHYLENETHFDEHYDROG-NADP-RXN|1.1.1.34-RXN|HBCO_nadp|RXN-7658|DXPREDISOM-RXN|RXN-12560|RXN-7659|MTHFor_nadp|CARBONYL-REDUCTASE-NADPH-RXN|RXN-1124|ARYL-ALCOHOL-DEHYDROGENASE-NADP+-RXN|RXN-8773|1.3.1.20-RXN|PYRIDOXINE-4-DEHYDROGENASE-RXN|CORTISONE-ALPHA-REDUCTASE-RXN|RXN-9951|RXN-12484|G3PD2|ACETOLACTREDUCTOISOM-RXN|ASPARTATE-SEMIALDEHYDE-DEHYDROGENASE-RXN|R369|RXN1F-10|R01220|PROLINE-MULTI|RME298|GLYCEROL-DEHYDROGENASE-NADP+-RXN|CHOLESTENONE-5-ALPHA-REDUCTASE-RXN|1.1.1.274-RXN|RXN-13279|RXN-14209|RXN-8772}}
+
{{#set: common name=heptadecanoate}}
 +
{{#set: molecular weight=269.446   }}
 +
{{#set: common name=margaric acid|margarate|heptadecanoic acid}}
 +
{{#set: produced by=RXN66-476-CPD-14719/NAD/WATER//CPD-7830/NADH/PROTON.42.}}

Latest revision as of 19:13, 21 March 2018

Metabolite CPD-7830

  • smiles:
    • CCCCCCCCCCCCCCCCC([O-])=O
  • inchi key:
    • InChIKey=KEMQGTRYUADPNZ-UHFFFAOYSA-M
  • common name:
    • heptadecanoate
  • molecular weight:
    • 269.446
  • Synonym(s):
    • margaric acid
    • margarate
    • heptadecanoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CHEBI:
  • CHEMSPIDER:
  • Wikipedia : Heptadecanoic_acid
  • METABOLIGHTS : MTBLC32366
  • PUBCHEM:
"CCCCCCCCCCCCCCCCC([O-])=O" cannot be used as a page name in this wiki.