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− | [[Category:Reaction]] | + | [[Category:Metabolite]] |
− | == Reaction [http://metacyc.org/META/NEW-IMAGE?object=ACYLCOASYN-RXN ACYLCOASYN-RXN] == | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7418 CPD-7418] == |
− | * direction: | + | * smiles: |
− | ** LEFT-TO-RIGHT | + | ** C(C=CC1(=C(C=CC=C1)O))(=O)[O-] |
| + | * inchi key: |
| + | ** InChIKey=PMOWTIHVNWZYFI-WAYWQWQTSA-M |
| * common name: | | * common name: |
− | ** 2,3,4-saturated fatty acyl-CoA synthetase | + | ** coumarinate |
− | ** polyketide_synthase | + | * molecular weight: |
− | ** long_chain_acyl-_synthetase
| + | ** 163.152 |
− | ** acyl-_synthetase
| + | |
− | ** ORF
| + | |
− | * ec number:
| + | |
− | ** [http://enzyme.expasy.org/EC/6.2.1.3 EC-6.2.1.3] | + | |
| * Synonym(s): | | * Synonym(s): |
− | ** Acyl-activating enzyme | + | ** coumarinic acid |
− | ** Fatty acid thiokinase (long-chain)
| + | |
| | | |
− | == Reaction Formula == | + | == Reaction(s) known to consume the compound == |
− | * With identifiers:
| + | * [[RXN-8037]] |
− | ** 1 [[CO-A]][c] '''+''' 1 [[ATP]][c] '''+''' 1 [[CPD66-39]][c] '''=>''' 1 [[AMP]][c] '''+''' 1 [[Saturated-Fatty-Acyl-CoA]][c] '''+''' 1 [[PPI]][c]
| + | == Reaction(s) known to produce the compound == |
− | * With common name(s):
| + | * [[RXN-8036]] |
− | ** 1 coenzyme A[c] '''+''' 1 ATP[c] '''+''' 1 a 2,3,4-saturated fatty acid[c] '''=>''' 1 AMP[c] '''+''' 1 a 2,3,4-saturated fatty acyl CoA[c] '''+''' 1 diphosphate[c]
| + | == Reaction(s) of unknown directionality == |
− | | + | |
− | == Genes associated with this reaction == | + | |
− | Genes have been associated with this reaction based on different elements listed below.
| + | |
− | * [[Tiso_gene_500]] | + | |
− | ** IN-SILICO_ANNOTATION
| + | |
− | ***EC-NUMBER
| + | |
− | * [[Tiso_gene_10876]]
| + | |
− | ** IN-SILICO_ANNOTATION
| + | |
− | ***EC-NUMBER
| + | |
− | * [[Tiso_gene_9394]]
| + | |
− | ** IN-SILICO_ANNOTATION
| + | |
− | ***EC-NUMBER
| + | |
− | ** EXPERIMENTAL_ANNOTATION
| + | |
− | ***EC-NUMBER
| + | |
− | ** [[pantograph]]-[[esiliculosus]]
| + | |
− | * [[Tiso_gene_4191]]
| + | |
− | ** IN-SILICO_ANNOTATION
| + | |
− | ***EC-NUMBER
| + | |
− | ** EXPERIMENTAL_ANNOTATION
| + | |
− | ***EC-NUMBER
| + | |
− | * [[Tiso_gene_136]]
| + | |
− | ** IN-SILICO_ANNOTATION
| + | |
− | ***EC-NUMBER
| + | |
− | * [[Tiso_gene_7855]]
| + | |
− | ** IN-SILICO_ANNOTATION
| + | |
− | ***EC-NUMBER
| + | |
− | * [[Tiso_gene_135]]
| + | |
− | ** IN-SILICO_ANNOTATION
| + | |
− | ***EC-NUMBER
| + | |
− | * [[Tiso_gene_348]]
| + | |
− | ** IN-SILICO_ANNOTATION
| + | |
− | ***EC-NUMBER
| + | |
− | ** EXPERIMENTAL_ANNOTATION
| + | |
− | ***EC-NUMBER
| + | |
− | * [[Tiso_gene_13394]]
| + | |
− | ** IN-SILICO_ANNOTATION
| + | |
− | ***EC-NUMBER
| + | |
− | == Pathways == | + | |
− | * [[PWY-5136]], fatty acid β-oxidation II (peroxisome): [http://metacyc.org/META/NEW-IMAGE?object=PWY-5136 PWY-5136]
| + | |
− | ** '''5''' reactions found over '''5''' reactions in the full pathway
| + | |
− | * [[PWY-7288]], fatty acid β-oxidation (peroxisome, yeast): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7288 PWY-7288]
| + | |
− | ** '''3''' reactions found over '''5''' reactions in the full pathway
| + | |
− | * [[FAO-PWY]], fatty acid β-oxidation I: [http://metacyc.org/META/NEW-IMAGE?object=FAO-PWY FAO-PWY]
| + | |
− | ** '''5''' reactions found over '''7''' reactions in the full pathway
| + | |
− | * [[PWY66-391]], fatty acid β-oxidation VI (peroxisome): [http://metacyc.org/META/NEW-IMAGE?object=PWY66-391 PWY66-391] | + | |
− | ** '''5''' reactions found over '''7''' reactions in the full pathway
| + | |
− | == Reconstruction information == | + | |
− | * [[orthology]]:
| + | |
− | ** [[pantograph]]:
| + | |
− | *** [[esiliculosus]]
| + | |
− | * [[annotation]]:
| + | |
− | ** [[pathwaytools]]:
| + | |
− | *** [[experimental_annotation]]
| + | |
− | *** [[in-silico_annotation]]
| + | |
| == External links == | | == External links == |
− | * UNIPROT: | + | * PUBCHEM: |
− | ** [http://www.uniprot.org/uniprot/P18163 P18163] | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54714352 54714352] |
− | ** [http://www.uniprot.org/uniprot/P39518 P39518]
| + | * HMDB : HMDB41592 |
− | ** [http://www.uniprot.org/uniprot/O51162 O51162]
| + | * LIGAND-CPD: |
− | ** [http://www.uniprot.org/uniprot/P39002 P39002] | + | ** [http://www.genome.jp/dbget-bin/www_bget?C05838 C05838] |
− | ** [http://www.uniprot.org/uniprot/Q9RYK3 Q9RYK3] | + | * CHEMSPIDER: |
− | ** [http://www.uniprot.org/uniprot/Q10776 Q10776] | + | ** [http://www.chemspider.com/Chemical-Structure.20118034.html 20118034] |
− | ** [http://www.uniprot.org/uniprot/O83181 O83181] | + | * CHEBI: |
− | ** [http://www.uniprot.org/uniprot/Q9RTR4 Q9RTR4] | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=47921 47921] |
− | ** [http://www.uniprot.org/uniprot/P94547 P94547]
| + | * METABOLIGHTS : MTBLC47921 |
− | ** [http://www.uniprot.org/uniprot/Q9YCF0 Q9YCF0] | + | {{#set: smiles=C(C=CC1(=C(C=CC=C1)O))(=O)[O-]}} |
− | ** [http://www.uniprot.org/uniprot/Q9CHR0 Q9CHR0] | + | {{#set: inchi key=InChIKey=PMOWTIHVNWZYFI-WAYWQWQTSA-M}} |
− | ** [http://www.uniprot.org/uniprot/Q9JTK0 Q9JTK0]
| + | {{#set: common name=coumarinate}} |
− | ** [http://www.uniprot.org/uniprot/P44446 P44446]
| + | {{#set: molecular weight=163.152 }} |
− | ** [http://www.uniprot.org/uniprot/O30039 O30039] | + | {{#set: common name=coumarinic acid}} |
− | ** [http://www.uniprot.org/uniprot/O51539 O51539]
| + | {{#set: consumed by=RXN-8037}} |
− | ** [http://www.uniprot.org/uniprot/Q9JYJ7 Q9JYJ7]
| + | {{#set: produced by=RXN-8036}} |
− | ** [http://www.uniprot.org/uniprot/P33121 P33121]
| + | |
− | ** [http://www.uniprot.org/uniprot/P33124 P33124]
| + | |
− | ** [http://www.uniprot.org/uniprot/P30624 P30624]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q02602 Q02602]
| + | |
− | ** [http://www.uniprot.org/uniprot/P69451 P69451]
| + | |
− | ** [http://www.uniprot.org/uniprot/P69452 P69452]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q8JZR0 Q8JZR0]
| + | |
− | ** [http://www.uniprot.org/uniprot/P47912 P47912]
| + | |
− | ** [http://www.uniprot.org/uniprot/P73004 P73004]
| + | |
− | ** [http://www.uniprot.org/uniprot/O81614 O81614]
| + | |
− | ** [http://www.uniprot.org/uniprot/O15840 O15840]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q96537 Q96537]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q96538 Q96538]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q96338 Q96338]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q9T009 Q9T009]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q9T0A0 Q9T0A0]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q9ZBW6 Q9ZBW6]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q9X7Y5 Q9X7Y5]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q9X7Z0 Q9X7Z0]
| + | |
− | ** [http://www.uniprot.org/uniprot/O60135 O60135]
| + | |
− | {{#set: direction=LEFT-TO-RIGHT}} | + | |
− | {{#set: common name=2,3,4-saturated fatty acyl-CoA synthetase}}
| + | |
− | {{#set: common name=polyketide_synthase}}
| + | |
− | {{#set: common name=long_chain_acyl-_synthetase}}
| + | |
− | {{#set: common name=acyl-_synthetase}} | + | |
− | {{#set: common name=ORF}} | + | |
− | {{#set: ec number=EC-6.2.1.3}} | + | |
− | {{#set: common name=Acyl-activating enzyme|Fatty acid thiokinase (long-chain)}} | + | |
− | {{#set: gene associated=Tiso_gene_500|Tiso_gene_10876|Tiso_gene_9394|Tiso_gene_4191|Tiso_gene_136|Tiso_gene_7855|Tiso_gene_135|Tiso_gene_348|Tiso_gene_13394}} | + | |
− | {{#set: in pathway=PWY-5136|PWY-7288|FAO-PWY|PWY66-391}}
| + | |
− | {{#set: reconstruction category=orthology}}
| + | |
− | {{#set: reconstruction tool=pantograph}}
| + | |
− | {{#set: reconstruction source=esiliculosus}}
| + | |
− | {{#set: reconstruction category=annotation}}
| + | |
− | {{#set: reconstruction tool=pathwaytools}}
| + | |
− | {{#set: reconstruction source=experimental_annotation|in-silico_annotation}} | + | |