{"ymdb_id":"YMDB00911","created_at":"2011-05-29T19:04:14.000Z","updated_at":"2016-09-08T18:36:03.000Z","name":"Propanal","cas":"123-38-6","state":"Liquid","melting_point":"-80 oC","description":"Propanal (propionaldehyde) is a structural isomer of propanone. At room temperature, it is a colourless liquid with a slightly irritating, fruity odour.","experimental_water_solubility":"306 mg/mL at 25 oC [RIDDICK,JA et al. (1986)]","experimental_logp_hydrophobicity":"0.59 [HANSCH,C ET AL. (1995)]","location":"","synthesis_reference":"Wang, Yan-bin; Yao, Xiao-ming.  Development of the process of making propanal from natural gas and light oil.    Tianranqi Huagong  (2003),  28(1),  8-10,14. ","chebi_id":"17153","hmdb_id":"HMDB03366","kegg_id":"C00479","pubchem_id":"527","cs_id":"512","foodb_id":null,"wikipedia_link":"Propionaldehyde","biocyc_id":"2-METHYLPROPANAL-OXIME","iupac":"propanal","traditional_iupac":"propionaldehyde","logp":"0.3185738803333332","pka":null,"alogps_solubility":"1.46e+02 g/l","alogps_logp":"0.31","alogps_logs":"0.40","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"17.07","refractivity":"16.3452","polarizability":"6.364779371580674","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.938105699195357","pka_strongest_acidic":"17.322359249671507","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Propanal","1-Propanone","Aldehyde propionique","Methylacetaldehyde","n-Propanal","n-Propionaldehyde","Propaldehyde","Propanalaldehyde","Propanaldehyde","Propional","Propionaldehyde","Propionic aldehyde","Proprionaldehyde","Propyl aldehyde","Propylaldehyde","Propylic aldehyde"],"pathways":[{"name":"Glycerolipid metabolism","kegg_map_id":"00561"}],"growth_conditions":[],"references":[{"pubmed_id":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."},{"pubmed_id":8828287,"citation":"Leskovac, V., Trivic, S., Anderson, B. M. (1996). \"Use of pH studies to determine the kinetic and chemical mechanism of yeast alcohol dehydrogenase with primary aliphatic alcohols and aldehydes.\" Indian J Biochem Biophys 33:177-183."}],"proteins":[{"created_at":"2011-05-27T07:19:56.000Z","updated_at":"2011-05-27T15:01:27.000Z","name":"NADPH dehydrogenase 2","uniprot_id":"Q03558","uniprot_name":"OYE2_YEAST","enzyme":true,"transporter":false,"gene_name":"OYE2","num_residues":400,"molecular_weight":"45010.39844","theoretical_pi":"6.53","general_function":"Involved in catalytic activity","specific_function":"Oxidizes beta-NADH, beta-NADPH, and alpha-NADPH","reactions":[{"id":2808,"direction":"\u003e","locations":"","altext":"NADPH + acceptor = NADP(+) + reduced acceptor.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":"1OYC","cellular_location":null,"genbank_gene_id":"L06124","genbank_protein_id":"172030","gene_card_id":"OYE2","chromosome_location":"chromosome 8","locus":"YHR179W","synonyms":["Old yellow enzyme 2"],"enzyme_classes":["1.6.99.1"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleotide binding"},{"category":"Function","description":" FMN binding"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"Oxidored_FMN","identifier":"PF00724"}],"pathways":[],"gene_sequence":"ATGCCATTTGTTAAGGACTTTAAGCCACAAGCTTTGGGTGACACCAACTTATTCAAACCAATCAAAATTGGTAACAATGAACTTCTACACCGTGCTGTCATTCCTCCATTGACTAGAATGAGAGCCCAACATCCAGGTAATATTCCAAACAGAGACTGGGCCGTTGAATACTACGCTCAACGTGCTCAAAGACCAGGAACCTTGATTATCACTGAAGGTACCTTTCCCTCTCCACAATCTGGGGGTTACGACAATGCTCCAGGTATCTGGTCCGAAGAACAAATTAAAGAATGGACCAAGATTTTCAAGGCTATTCATGAGAATAAATCGTTCGCATGGGTCCAATTATGGGTTCTAGGTTGGGCTGCTTTCCCAGACACCCTTGCTAGGGATGGTTTGCGTTACGACTCCGCTTCTGACAACGTGTATATGAATGCAGAACAAGAAGAAAAGGCTAAGAAGGCTAACAACCCACAACACAGTATAACAAAGGATGAAATTAAGCAATACGTCAAAGAATACGTCCAAGCTGCCAAAAACTCCATTGCTGCTGGTGCCGATGGTGTTGAAATCCACAGCGCTAACGGTTACTTGTTGAACCAGTTCTTGGACCCACACTCCAATAACAGAACCGATGAGTATGGTGGATCCATCGAAAACAGAGCCCGTTTCACCTTGGAAGTGGTTGATGCAGTTGTCGATGCTATTGGCCCTGAAAAAGTCGGTTTGAGATTGTCTCCATATGGTGTCTTCAACAGTATGTCTGGTGGTGCTGAAACCGGTATTGTTGCTCAATATGCTTATGTCTTAGGTGAACTAGAAAGAAGAGCTAAAGCTGGCAAGCGTTTGGCTTTCGTCCATCTAGTTGAACCTCGTGTCACCAACCCATTTTTAACTGAAGGTGAAGGTGAATACAATGGAGGTAGCAACAAATTTGCTTATTCTATCTGGAAGGGCCCAATTATTAGAGCTGGTAACTTTGCTCTGCACCCAGAAGTTGTCAGAGAAGAGGTGAAGGATCCTAGAACATTGATCGGTTACGGTAGATTTTTTATCTCTAATCCAGATTTGGTTGATCGTTTGGAAAAAGGGTTACCATTAAACAAATATGACAGAGACACTTTCTACAAAATGTCAGCTGAGGGATACATTGACTACCCTACGTACGAAGAAGCTCTAAAACTCGGTTGGGACAAAAATTAA","protein_sequence":"MPFVKDFKPQALGDTNLFKPIKIGNNELLHRAVIPPLTRMRAQHPGNIPNRDWAVEYYAQRAQRPGTLIITEGTFPSPQSGGYDNAPGIWSEEQIKEWTKIFKAIHENKSFAWVQLWVLGWAAFPDTLARDGLRYDSASDNVYMNAEQEEKAKKANNPQHSITKDEIKQYVKEYVQAAKNSIAAGADGVEIHSANGYLLNQFLDPHSNNRTDEYGGSIENRARFTLEVVDAVVDAIGPEKVGLRLSPYGVFNSMSGGAETGIVAQYAYVLGELERRAKAGKRLAFVHLVEPRVTNPFLTEGEGEYNGGSNKFAYSIWKGPIIRAGNFALHPEVVREEVKDPRTLIGYGRFFISNPDLVDRLEKGLPLNKYDRDTFYKMSAEGYIDYPTYEEALKLGWDKN"},{"created_at":"2011-05-27T07:21:51.000Z","updated_at":"2011-05-27T15:01:27.000Z","name":"NADPH dehydrogenase 3","uniprot_id":"P41816","uniprot_name":"OYE3_YEAST","enzyme":true,"transporter":false,"gene_name":"OYE3","num_residues":400,"molecular_weight":"44920.10156","theoretical_pi":"5.31","general_function":"Involved in catalytic activity","specific_function":"Oxidizes beta-NADH, beta-NADPH, and alpha-NADPH","reactions":[{"id":2808,"direction":"\u003e","locations":"","altext":"NADPH + acceptor = NADP(+) + reduced acceptor.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"L29279","genbank_protein_id":"460039","gene_card_id":"OYE3","chromosome_location":"chromosome 16","locus":"YPL171C","synonyms":["Old yellow enzyme 3"],"enzyme_classes":["1.6.99.1"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleotide binding"},{"category":"Function","description":" FMN binding"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"Oxidored_FMN","identifier":"PF00724"}],"pathways":[],"gene_sequence":"ATGCCATTTGTAAAAGGTTTTGAGCCGATCTCCCTAAGAGACACAAACCTTTTTGAACCAATTAAGATTGGTAACACTCAGCTTGCACATCGTGCGGTTATGCCCCCATTGACCAGAATGAGGGCCACTCACCCCGGAAATATTCCAAATAAGGAGTGGGCTGCTGTGTATTATGGTCAGCGTGCTCAAAGACCTGGTACCATGATCATCACGGAAGGTACGTTTATTTCCCCTCAAGCCGGCGGCTATGACAACGCCCCTGGGATTTGGTCTGATGAGCAGGTCGCTGAGTGGAAGAATATCTTTTTAGCCATCCATGATTGTCAGTCGTTCGCGTGGGTACAACTTTGGTCTTTAGGCTGGGCATCCTTCCCAGACGTATTGGCAAGAGACGGGTTACGCTATGACTGTGCATCTGACAGAGTGTATATGAATGCTACGTTACAAGAAAAGGCCAAAGATGCGAATAATCTCGAACATAGTTTGACTAAAGACGACATTAAACAGTATATCAAGGATTACATCCATGCGGCTAAGAATTCTATCGCGGCTGGCGCCGATGGTGTAGAAATTCATAGCGCCAATGGGTACTTGTTGAATCAGTTCTTGGATCCACATTCTAATAAGAGGACCGACGAATACGGCGGAACGATCGAAAACAGGGCCCGCTTTACACTGGAGGTTGTCGATGCTCTTATCGAAACTATCGGTCCTGAACGGGTGGGTTTGAGGTTGTCGCCGTACGGCACTTTTAACAGTATGTCTGGGGGTGCTGAACCAGGTATTATCGCTCAATATTCGTATGTTTTGGGTGAATTAGAGAAGAGGGCAAAGGCTGGTAAGCGTTTGGCCTTTGTGCACCTCGTTGAACCACGTGTCACGGACCCATCGTTGGTGGAGGGCGAAGGAGAATATTCCGAGGGTACTAACGATTTTGCCTACTCTATATGGAAGGGTCCAATCATCAGAGCTGGTAATTACGCTCTTCATCCAGAAGTGGTTAGAGAACAAGTAAAGGATCCCAGAACCTTGATAGGCTATGGTAGATTCTTCATCTCTAACCCAGATTTAGTCTACCGTTTAGAAGAGGGCCTGCCATTGAACAAGTATGACAGAAGTACCTTCTACACCATGTCCGCGGAAGGTTATACCGACTACCCAACATATGAAGAGGCAGTAGATTTAGGTTGGAACAAGAACTGA","protein_sequence":"MPFVKGFEPISLRDTNLFEPIKIGNTQLAHRAVMPPLTRMRATHPGNIPNKEWAAVYYGQRAQRPGTMIITEGTFISPQAGGYDNAPGIWSDEQVAEWKNIFLAIHDCQSFAWVQLWSLGWASFPDVLARDGLRYDCASDRVYMNATLQEKAKDANNLEHSLTKDDIKQYIKDYIHAAKNSIAAGADGVEIHSANGYLLNQFLDPHSNKRTDEYGGTIENRARFTLEVVDALIETIGPERVGLRLSPYGTFNSMSGGAEPGIIAQYSYVLGELEKRAKAGKRLAFVHLVEPRVTDPSLVEGEGEYSEGTNDFAYSIWKGPIIRAGNYALHPEVVREQVKDPRTLIGYGRFFISNPDLVYRLEEGLPLNKYDRSTFYTMSAEGYTDYPTYEEAVDLGWNKN"}]}