Pentadekan (BioDeep_00000860024)

Main id: BioDeep_00000006753

Volatile Flavor Compounds

代谢物信息卡片

4-01-00-00529 (Beilstein Handbook Reference)

化学式: C15H32 (212.2503872)
中文名称: 十五烷
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCCCCCCCCCCCCCC
InChI: InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3

描述信息

同义名列表

23 个代谢物同义名

4-01-00-00529 (Beilstein Handbook Reference); ghl.PD_Mitscher_leg0.43; EINECS 211-098-1; NCGC00164185-01; CH3-[CH2]13-CH3; 442700_SUPELCO; n-pentadecane; P3406_ALDRICH; LMFA11000006; 76509_FLUKA; CHEBI:28897; BRN 1698194; Pentadecane; 76510_FLUKA; Pentadekan; NSC 172781; HSDB 5729; NSC172781; 629-62-9; C08388; MYS; Pentadecane; Pentadecane

数据库引用编号

12 个数据库交叉引用编号

ChEBI: CHEBI:28897
KEGG: C08388
PubChem: 12391
ChEMBL: CHEMBL1234557
CAS: 629-62-9
PubChem: 10584
LipidMAPS: LMFA11000006
KNApSAcK: C00001265
PDB-CCD: MYS
3DMET: B02180
NIKKAJI: J1.702G
KNApSAcK: 28897

分类词条

烃类

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

142 个相关的物种来源信息

696237 - Aethus indicus: 10.1515/ZNC-1984-3-422
94327 - Alpinia galanga: 10.1016/S0031-9422(00)80814-6
1175 - Aphanizomenon: 10.1248/YAKUSHI1947.101.9_852
76089 - Asarum epigynum: 10.1248/YAKUSHI1947.107.3_209
1550270 - Asarum fauriei:
1550271 - Asarum fauriei var. takaoi:
2670324 - Asarum kurosawae: 10.1515/ZNC-1984-7-803
1550272 - Asarum megacalyx:
336664 - Asarum nipponicum: 10.1515/ZNC-1984-7-803
2606226 - Asarum nipponicum var. nankaiense: 10.1248/YAKUSHI1947.107.3_209
385370 - Aster scaber: 10.1021/JF00034A033
3707 - Brassica juncea: 10.1271/BBB1961.50.205
3711 - Brassica rapa: 10.1271/BBB1961.50.205
85954 - Callitropsis nootkatensis: 10.1016/S0031-9422(00)85772-6
5476 - Candida albicans: 10.1007/S11306-016-1134-2
3483 - Cannabis sativa: 10.1021/NP50008A001
106546 - Chaenomeles speciosa: 10.1080/10412905.1994.9698331
191224 - Cistus creticus: 10.1515/ZNC-1984-7-802
335173 - Cistus ladanifer: 10.1515/ZNC-1984-7-802
335179 - Cistus laurifolius: 10.1515/ZNC-1984-7-802
335184 - Cistus monspeliensis: 10.1515/ZNC-1984-7-802
3654 - Citrullus lanatus: 10.1271/BBB1961.49.3145
558547 - Citrus deliciosa: 10.1016/J.PHYTOCHEM.2009.07.031
170989 - Citrus hystrix: 10.1016/J.PHYTOCHEM.2009.07.031
85571 - Citrus reticulata: 10.1016/J.PHYTOCHEM.2009.07.031
246357 - Commiphora rostrata: 10.1016/0031-9422(88)87020-1
329675 - Daphne odora: 10.1271/BBB1961.47.483
2715869 - Daphne papyracea: 10.1271/BBB1961.47.483
2876 - Dictyota dichotoma: 10.1071/CH08343
4164 - Digitalis purpurea: 10.1055/S-0028-1099475
239547 - Dryopteris affinis: 10.1055/S-2007-969987
1091245 - Dryopteris assimilis: 10.1055/S-2007-969987
239555 - Dryopteris carthusiana: 10.1055/S-2007-969987
239563 - Dryopteris expansa: 10.1055/S-2007-969987
3289 - Dryopteris filix-mas: 10.1055/S-2007-969987
1663599 - Dryopteris spinulosa: 10.1055/S-2007-969987
51953 - Elaeis guineensis: 10.1021/JF00120A031
52153 - Festuca rubra: 10.1016/0031-9422(91)84185-U
358560 - Geitlerinema splendidum: 10.1248/YAKUSHI1947.101.9_852
49827 - Glycyrrhiza glabra: 10.1271/NOGEIKAGAKU1924.61.1119
3635 - Gossypium hirsutum: 10.1021/JF60200A011
671128 - Gymnodinium nagasakiense: 10.1016/0031-9422(92)80160-G
4397 - Hamamelis virginiana: 10.1055/S-2006-957420
108870 - Herrania cuatrecasana: 10.1017/S1742758400005282
1521554 - Jaaginema geminatum: 10.1248/YAKUSHI1947.101.9_852
225107 - Karenia mikimotoi: 10.1016/0031-9422(92)80160-G
126435 - Lantana camara: 10.1002/(SICI)1099-1026(199901/02)14:1<15::AID-FFJ777>3.0.CO;2-M
649173 - Lantana strigocamara: 10.1002/(SICI)1099-1026(199901/02)14:1<15::AID-FFJ777>3.0.CO;2-M
681275 - Litoria verreauxii: 10.1038/SDATA.2018.33
4606 - Lolium arundinaceum: 10.1016/0031-9422(91)84185-U
34305 - Lotus japonicus:
597317 - Manilkara bidentata: 10.1039/JR9630000677
39338 - Melissa officinalis: 10.1080/10412905.1991.9697919
1126 - Microcystis aeruginosa: 10.1016/S0031-9422(97)00943-6
233713 - Mimusops: 10.1039/JR9630000677
242164 - Morina persica: 10.1080/10412905.1998.9700856
516065 - Mosla chinensis: 10.1002/CJOC.201180379
4431 - Nelumbo lutea: 10.1080/10412905.1991.9697932
4432 - Nelumbo nucifera: 10.1080/10412905.1991.9697932
147889 - Nothomyrmecia macrops: 10.1007/BF01959170
84561 - Oecophylla smaragdina: 10.1271/BBB1961.54.3335
145953 - Ophrys sphegodes: 10.1016/S0031-9422(00)81276-5
212355 - Oscillatoria amoena: 10.1248/YAKUSHI1947.101.9_852
4054 - Panax ginseng: 10.1007/978-3-662-03331-9_2
158596 - Pelargonium endlicherianum: 10.1055/S-2006-960872
488003 - Persicaria minor: 10.3390/MOLECULES191119220
1155347 - Persicaria mitis: 10.3390/MOLECULES191119220
55513 - Pistacia vera: 10.1080/10412905.1995.9698558
6359 - Platynereis dumerilii: 10.1002/JEZ.1402460308
303 - Pseudomonas putida: 10.1371/JOURNAL.PONE.0156509
3767 - Pyrus pyrifolia: 10.1080/10412905.1992.9698151
148364 - Rhytidoponera metallica: 10.1021/NP50055A014
37565 - Ruta graveolens: 10.1080/10412905.1989.9697787
4463 - Sauromatum venosum: 10.1016/S0031-9422(00)94756-3
54832 - Scandix balansae: 10.1002/CBDV.201300106
375857 - Scolochloa festucacea: 10.1016/0031-9422(91)84185-U
65409 - Scutellaria baicalensis: 10.1271/BBB1961.51.1449
27967 - Scytosiphon lomentaria: 10.1016/0031-9422(91)85017-T
547782 - Symphyotrichum undulatum: 10.1021/JF00034A033
1142 - Synechocystis: 10.1104/PP.108.129403
3641 - Theobroma cacao: 10.1017/S1742758400005282
108882 - Theobroma mammosum: 10.1017/S1742758400005282
108884 - Theobroma simiarum: 10.1017/S1742758400005282
78534 - Trigonella foenum-graecum: 10.1055/S-2007-969591
458697 - Typhonium flagelliforme: 10.1016/S0378-8741(01)00274-4
669896 - Vanilla madagascariensis: 10.1021/JF960927B
51239 - Vanilla planifolia: 10.1021/JF960927B
29760 - Vitis vinifera: 10.3389/FMICB.2017.00457
1005659 - Xylopia sericea: 10.1021/NP50048A039
136225 - Zingiber mioga: 10.1271/BBB1961.55.1655
44586 - 三七: -
4054 - 人参: -
4054 - 人参叶: -
83936 - 凌霄花: -
2750454 - 功劳木: -
3440 - 升麻: -
33090 - 南蛇藤果: -
33090 - 土茯苓: -
33090 - 天南星: -
33090 - 安息香: -
33090 - 山柰: -
33090 - 山茱萸: -
33090 - 川芎: -
33090 - 昆布: -
33090 - 木贼: -
33090 - 枇杷叶: -
33090 - 枸杞子: -
33090 - 柴胡: -
33090 - 栀子: -
13428 - 桂枝: -
3498 - 桑叶: -
33090 - 桑椹: -
33090 - 款冬花: -
33090 - 沙棘: -
33090 - 满山红: -
4217 - 牛蒡子: -
33090 - 牵牛子: -
312530 - 独活: -
33090 - 玉米须: -
33090 - 玫瑰花: -
33090 - 白芷: -
33090 - 紫苏: -
33090 - 细辛: -
33090 - 肉桂: -
33090 - 胡椒: -
4047 - 芫荽: -
33090 - 苍耳子: -
33090 - 苦杏仁: -
33090 - 茺蔚子: -
33090 - 荜茇: -
33090 - 荠菜: -
13422 - 菊花: -
33090 - 西河柳: -
33090 - 辛夷: -
33090 - 辣椒: -
33090 - 锦灯笼: -
33090 - 马鞭草: -
33090 - 高良姜: -
33090 - 鸡屎藤: -
33090 - 黄芩: -
33090 - 黑芝麻: -
33090 - 鼠曲草: -

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。

文献列表

Maciej Bratek, Anna Wójcik-Augustyn, Adrian Kania, Jan Majta, Krzysztof Murzyn. Condensed phase properties of n-pentadecane emerging from application of biomolecular force fields. Acta biochimica Polonica. 2020 Sep; 67(3):309-318. doi: 10.18388/abp.2020_5414. [PMID: 32940993]
Björn Bohman, Alyssa M Weinstein, Raimondas Mozuraitis, Gavin R Flematti, Anna-Karin Borg-Karlson. Identification of (Z)-8-Heptadecene and n-Pentadecane as Electrophysiologically Active Compounds in Ophrys insectifera and Its Argogorytes Pollinator. International journal of molecular sciences. 2020 Jan; 21(2):. doi: 10.3390/ijms21020620. [PMID: 31963543]
Haofeng Zhou, Yindengzhi Guoruoluo, Yali Tuo, Junfei Zhou, Hanqi Zhang, Wei Wang, Ming Xiang, Haji Akber Aisa, Guangmin Yao. Cassiabudanols A and B, Immunostimulative Diterpenoids with a Cassiabudane Carbon Skeleton Featuring a 3-Oxatetracyclo[6.6.1.02,6.010,14]pentadecane Scaffold from Cassia Buds. Organic letters. 2019 01; 21(2):549-553. doi: 10.1021/acs.orglett.8b03883. [PMID: 30601013]
Herny Ei Simbala, Edwin De Queljoe, Max Rj Runtuwene, Trina Ekawati Tallei. Bioactive compounds in Pinang Yaki (Areca vestiaria) fruit as potential source of antifertility agent. Pakistan journal of pharmaceutical sciences. 2017 Sep; 30(5(Supplementary)):1929-1937. doi: ". [PMID: 29105623]
Wataru Kimura, Yasushi Endo. Decomposition products of glycidyl esters of fatty acids by heating. Bioscience, biotechnology, and biochemistry. 2017 Mar; 81(3):581-586. doi: 10.1080/09168451.2016.1259551. [PMID: 27884080]
Damien Sorigué, Bertrand Légeret, Stéphan Cuiné, Pablo Morales, Boris Mirabella, Geneviève Guédeney, Yonghua Li-Beisson, Reinhard Jetter, Gilles Peltier, Fred Beisson. Microalgae Synthesize Hydrocarbons from Long-Chain Fatty Acids via a Light-Dependent Pathway. Plant physiology. 2016 08; 171(4):2393-405. doi: 10.1104/pp.16.00462. [PMID: 27288359]
Federica Bruno, Germano Castelli, Antonella Migliazzo, Maria Piazza, Antonella Galante, Vincenza Lo Verde, Simona Calderone, Giuseppa Nucatolo, Fabrizio Vitale. Cytotoxic Screening and In Vitro Evaluation of Pentadecane Against Leishmania infantum Promastigotes and Amastigotes. The Journal of parasitology. 2015 Dec; 101(6):701-5. doi: 10.1645/15-736. [PMID: 26321352]
Tao Li, Jun Cheng, Rui Huang, Junhu Zhou, Kefa Cen. Conversion of waste cooking oil to jet biofuel with nickel-based mesoporous zeolite Y catalyst. Bioresource technology. 2015 Dec; 197(?):289-94. doi: 10.1016/j.biortech.2015.08.115. [PMID: 26342341]
Kun Huang, Angel E García. Effects of truncating van der Waals interactions in lipid bilayer simulations. The Journal of chemical physics. 2014 Sep; 141(10):105101. doi: 10.1063/1.4893965. [PMID: 25217953]
Yihui Yang, Alessandro Corona, Beth Schubert, Robert Reeder, Michael A Henson. The effect of oil type on the aggregation stability of nanostructured lipid carriers. Journal of colloid and interface science. 2014 Mar; 418(?):261-72. doi: 10.1016/j.jcis.2013.12.024. [PMID: 24461844]
Krzysztof Murzyn, Maciej Bratek, Marta Pasenkiewicz-Gierula. Refined OPLS all-atom force field parameters for n-pentadecane, methyl acetate, and dimethyl phosphate. The journal of physical chemistry. B. 2013 Dec; 117(51):16388-96. doi: 10.1021/jp408162d. [PMID: 24286298]
Rosa M Toledano, Rosa M Martínez, Carmen Barba, José M Cortés, Marta M Calvo, Guillermo Santa-María, Marta Herraiz. A quick method for identifying radiolytic hydrocarbons in low-fat-containing food. Journal of the science of food and agriculture. 2013 Feb; 93(3):479-84. doi: 10.1002/jsfa.5787. [PMID: 22806617]
Jianbo Lin, Jun Dou, Jiangling Xu, Haji Akber Aisa. Chemical composition, antimicrobial and antitumor activities of the essential oils and crude extracts of Euphorbia macrorrhiza. Molecules (Basel, Switzerland). 2012 May; 17(5):5030-9. doi: 10.3390/molecules17055030. [PMID: 22555293]
E E Essien, I A Ogunwande, W N Setzer, O Ekundayo. Chemical composition, antimicrobial, and cytotoxicity studies on S. erianthum and S. macranthum essential oils. Pharmaceutical biology. 2012 Apr; 50(4):474-80. doi: 10.3109/13880209.2011.614623. [PMID: 22136358]
Jiao Yin, Honglin Feng, Hongyan Sun, Jinghui Xi, Yazhong Cao, Kebin Li. Functional analysis of general odorant binding protein 2 from the meadow moth, Loxostege sticticalis L. (Lepidoptera: Pyralidae). PloS one. 2012; 7(3):e33589. doi: 10.1371/journal.pone.0033589. [PMID: 22479417]
Mokhtar Guerfel, Mohamed Ben Mansour, Youssef Ouni, Flamini Guido, Dalenda Boujnah, Mokhtar Zarrouk. Triacylglycerols composition and volatile compounds of virgin olive oil from Chemlali cultivar: comparison among different planting densities. TheScientificWorldJournal. 2012; 2012(?):354019. doi: 10.1100/2012/354019. [PMID: 22629139]
Marie Danielsson, Karl Lundén, Malin Elfstrand, Jiang Hu, Tao Zhao, Jenny Arnerup, Katarina Ihrmark, Gunilla Swedjemark, Anna-Karin Borg-Karlson, Jan Stenlid. Chemical and transcriptional responses of Norway spruce genotypes with different susceptibility to Heterobasidion spp. infection. BMC plant biology. 2011 Nov; 11(?):154. doi: 10.1186/1471-2229-11-154. [PMID: 22067529]
D Blom, C Fabbri, E C Connor, F P Schiestl, D R Klauser, T Boller, L Eberl, L Weisskopf. Production of plant growth modulating volatiles is widespread among rhizosphere bacteria and strongly depends on culture conditions. Environmental microbiology. 2011 Nov; 13(11):3047-58. doi: 10.1111/j.1462-2920.2011.02582.x. [PMID: 21933319]
Rafal Szmigielski, Marek Cieslak, Krzysztof J Rudziński, Barbara Maciejewska. Identification of volatiles from Pinus silvestris attractive for Monochamus galloprovincialis using a SPME-GC/MS platform. Environmental science and pollution research international. 2011 Aug; 19(7):2860-9. doi: 10.1007/s11356-012-0792-5. [PMID: 22322293]
K C Nam, E J Lee, D U Ahn, J H Kwon. Dose-dependent changes of chemical attributes in irradiated sausages. Meat science. 2011 May; 88(1):184-8. doi: 10.1016/j.meatsci.2010.12.023. [PMID: 21232877]
Mihaela Marilena Stancu, Magdalena Grifoll. Multidrug resistance in hydrocarbon-tolerant Gram-positive and Gram-negative bacteria. The Journal of general and applied microbiology. 2011; 57(1):1-18. doi: 10.2323/jgam.57.1. [PMID: 21478643]
Raphael T Tremblay, Sheppard A Martin, Jeffrey W Fisher. Metabolites from inhalation of aerosolized S-8 synthetic jet fuel in rats. Inhalation toxicology. 2011 Jan; 23(1):11-6. doi: 10.3109/08958378.2010.535573. [PMID: 21222558]
N J Yob, S Mohd Jofrry, M M R Meor Mohd Affandi, L K Teh, M Z Salleh, Z A Zakaria. Zingiber zerumbet (L.) Smith: A Review of Its Ethnomedicinal, Chemical, and Pharmacological Uses. Evidence-based complementary and alternative medicine : eCAM. 2011; 2011(?):543216. doi: 10.1155/2011/543216. [PMID: 21584247]
Anahita Khoramnia, Afshin Ebrahimpour, Boon Kee Beh, Oi Ming Lai. Production of a solvent, detergent, and thermotolerant lipase by a newly isolated Acinetobacter sp. in submerged and solid-state fermentations. Journal of biomedicine & biotechnology. 2011; 2011(?):702179. doi: 10.1155/2011/702179. [PMID: 21960739]
Haribalan Perumalsamy, Kyu Sik Chang, Chan Park, Young-Joon Ahn. Larvicidal activity of Asarum heterotropoides root constituents against insecticide-susceptible and -resistant Culex pipiens pallens and Aedes aegypti and Ochlerotatus togoi. Journal of agricultural and food chemistry. 2010 Sep; 58(18):10001-6. doi: 10.1021/jf102193k. [PMID: 20806890]
Mohammed El Amine Dib, Nassim Djabou, Jean-Marie Desjobert, Houcine Allali, Boufeldja Tabti, Alain Muselli, Jean Costa. Characterization of volatile compounds of Daucus crinitus Desf. Headspace Solid Phase Microextraction as alternative technique to Hydrodistillation. Chemistry Central journal. 2010 Sep; 4(?):16. doi: 10.1186/1752-153x-4-16. [PMID: 20858266]
Nataya Sutthanont, Wej Choochote, Benjawan Tuetun, Anuluck Junkum, Atchariya Jitpakdi, Udom Chaithong, Doungrat Riyong, Benjawan Pitasawat. Chemical composition and larvicidal activity of edible plant-derived essential oils against the pyrethroid-susceptible and -resistant strains of Aedes aegypti (Diptera: Culicidae). Journal of vector ecology : journal of the Society for Vector Ecology. 2010 Jun; 35(1):106-15. doi: 10.1111/j.1948-7134.2010.00036.x. [PMID: 20618656]
Xiong-Hao Lin, Yan-Bin Wu, Shan Lin, Jian-Wei Zeng, Pei-Yuan Zeng, Jin-Zhong Wu. Effects of volatile components and ethanolic extract from Eclipta prostrata on proliferation and differentiation of primary osteoblasts. Molecules (Basel, Switzerland). 2010 Jan; 15(1):241-50. doi: 10.3390/molecules15010241. [PMID: 20110887]
Supriya Baikar, Nutan Malpathak. Secondary metabolites as DNA topoisomerase inhibitors: A new era towards designing of anticancer drugs. Pharmacognosy reviews. 2010 Jan; 4(7):12-26. doi: 10.4103/0973-7847.65320. [PMID: 22228937]
Mohamed L Ashour, Mahmoud El-Readi, Mahmoud Youns, Sri Mulyaningsih, Frank Sporer, Thomas Efferth, Michael Wink. Chemical composition and biological activity of the essential oil obtained from Bupleurum marginatum (Apiaceae). The Journal of pharmacy and pharmacology. 2009 Aug; 61(8):1079-87. doi: 10.1211/jpp/61.08.0012. [PMID: 19703352]
Gagandeep, Meera, S B Kalidhar. Chemical Investigation of Crataeva nurvala Buch. Ham. Fruits. Indian journal of pharmaceutical sciences. 2009 Mar; 71(2):129-30. doi: 10.4103/0250-474x.54276. [PMID: 20336208]
Nagihan Yilmaz Iskender, Nurettin Yayli, Nuri Yildrim, Tayyibe Beyza Cansu, Salih Terzioğlu. The volatile constituents of the flower, leaf, and stem of Verbascum wiedemannianum grown in Turkey. Journal of oleo science. 2009; 58(3):117-21. doi: 10.5650/jos.58.117. [PMID: 19202309]
Muhammad Ishtiaq Ch, Yang F Wen, YiYu Cheng. Gas chromatographic/mass spectrometric analysis of the essential oil of Houttuynia cordata Thunb by using on-column methylation with tetramethylammonium acetate. Journal of AOAC International. 2007 Jan; 90(1):60-7. doi: . [PMID: 17373437]
Sophia A Kolesnikova, Anatoly I Kalinovsky, Sergei N Fedorov, Larisa K Shubina, Valentin A Stonik. Diterpenes from the Far-eastern brown alga Dictyota dichotoma. Phytochemistry. 2006 Oct; 67(19):2115-9. doi: 10.1016/j.phytochem.2006.05.041. [PMID: 16842831]
Thembelani E Nomkoko, Graham E Jackson, Bandile S Nakani, Roger Hunter. Solution chemistry of 1,15-bis(N,N-dimethyl)-5,11-dioxo-8-(N-benzyl)-1,4,8,12,15-pentaazapentadecane with metal ions of biological interest-Insights toward active metal ion containing therapeutics and diagnostic agents. Dalton transactions (Cambridge, England : 2003). 2006 Sep; ?(33):4029-38. doi: 10.1039/b602977a. [PMID: 17028712]
F Muhammad, N A Monteiro-Riviere, R E Baynes, J E Riviere. Effect of in vivo jet fuel exposure on subsequent in vitro dermal absorption of individual aromatic and aliphatic hydrocarbon fuel constituents. Journal of toxicology and environmental health. Part A. 2005 May; 68(9):719-37. doi: 10.1080/15287390590925456. [PMID: 16020199]
Jeffery B Klauda, Bernard R Brooks, Alexander D MacKerell, Richard M Venable, Richard W Pastor. An ab initio study on the torsional surface of alkanes and its effect on molecular simulations of alkanes and a DPPC bilayer. The journal of physical chemistry. B. 2005 Mar; 109(11):5300-11. doi: 10.1021/jp0468096. [PMID: 16863197]
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