Record Information |
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Version | 1.0 |
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Created at | 2020-11-23 19:42:44 UTC |
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Updated at | 2021-08-12 19:52:25 UTC |
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NP-MRD ID | NP0002882 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Apocholic acid |
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Provided By | BMRB![BMRB logo](/attributions/logo_bmrb.svg) |
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Description | Apocholic acid is also known as apocholate. It was first documented in 2008 (PMID: 17984079). Based on a literature review very few articles have been published on Apocholic acid (PMID: 34380192) (PMID: 34380191) (PMID: 34380190) (PMID: 34380189) (PMID: 34380182) (PMID: 34380181). |
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Structure | C[C@H](CCC(O)=O)[C@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1 |
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Synonyms | Value | Source |
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3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-Oic acid | Kegg | 3a,12a-Dihydroxy-5b-chol-8(14)-en-24-Oate | Generator | 3a,12a-Dihydroxy-5b-chol-8(14)-en-24-Oic acid | Generator | 3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-Oate | Generator | 3Α,12α-dihydroxy-5β-chol-8(14)-en-24-Oate | Generator | 3Α,12α-dihydroxy-5β-chol-8(14)-en-24-Oic acid | Generator | Apocholate | Generator |
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Chemical Formula | C24H38O4 |
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Average Mass | 390.5640 Da |
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Monoisotopic Mass | 390.27701 Da |
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IUPAC Name | (4R)-4-[(1R,2S,5R,7R,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-10-en-14-yl]pentanoic acid |
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Traditional Name | (4R)-4-[(1R,2S,5R,7R,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-10-en-14-yl]pentanoic acid |
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CAS Registry Number | Not Available |
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SMILES | C[C@H](CCC(O)=O)[C@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |
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InChI Identifier | InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1 |
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InChI Key | XWJTYEGVQBFZHI-IMPNNSMHSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Classification | Not classified |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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General References | - Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]
- Kim S, Park KY, Chung J, Kim YB, Lee JW, Huh SK: Comparative Analysis of Feasibility of the Retrograde Suction Decompression Technique for Microsurgical Treatment of Large and Giant Internal Carotid Artery Aneurysms. J Korean Neurosurg Soc. 2021 Aug 12. pii: jkns.2021.0066. doi: 10.3340/jkns.2021.0066. [PubMed:34380192 ]
- Bahloul M, Kharrat S, Chtara K, Hafdhi M, Turki O, Baccouche N, Ammar R, Kallel N, Hsairi M, Chakroun-Walha O, Hamida CB, Chelly H, Mahfoudh KB, Karoui A, Karray H, Rekik N, Bouaziz M: Clinical characteristics and outcomes of critically ill COVID-19 patients in Sfax, Tunisia. Acute Crit Care. 2021 Aug 12. pii: acc.2021.00129. doi: 10.4266/acc.2021.00129. [PubMed:34380191 ]
- Yi J, Kim KH: Identification and infection control of carbapenem-resistant Enterobacterales in intensive care units. Acute Crit Care. 2021 Aug 12. pii: acc.2021.00409. doi: 10.4266/acc.2021.00409. [PubMed:34380190 ]
- Lee Y, Kim SH, Hwang HY, Sohn SH, Choi JW, Kim KH: Perfusion parameters during cardiopulmonary bypass as a predictor of acute kidney injury after aortic valve replacement. Acute Crit Care. 2021 Aug 12. pii: acc.2021.00094. doi: 10.4266/acc.2021.00094. [PubMed:34380189 ]
- Matli B, Schulz A, Koeck T, Falter T, Lotz J, Rossmann H, Pfeiffer N, Beutel M, Munzel T, Strauch K, Wild PS, Lackner KJ: Distribution of HOMA-IR in a population-based cohort and proposal for reference intervals. Clin Chem Lab Med. 2021 Aug 10. pii: cclm-2021-0643. doi: 10.1515/cclm-2021-0643. [PubMed:34380182 ]
- Dorum S, Erdogan H, Koksoy AY, Topak A, Gorukmez O: Clinical features of pediatric renal glucosuria cases due to SLC5A2 gene variants. Pediatr Int. 2021 Aug 11. doi: 10.1111/ped.14948. [PubMed:34380181 ]
- MacGregor E, Serre N, Cozzella T, McGovern B, Schindel Martin L: Quilting emergent advanced practice nursing educator identity: an arts-informed approach. Int J Nurs Educ Scholarsh. 2021 Aug 10;18(1). pii: ijnes-2020-0088. doi: 10.1515/ijnes-2020-0088. [PubMed:34380188 ]
- Dewell S, Ginn C, Benzies K, Seneviratne C: Nursing student and faculty attitudes about a potential genomics-informed undergraduate curriculum. Int J Nurs Educ Scholarsh. 2021 Aug 9;18(1). pii: ijnes-2020-0109. doi: 10.1515/ijnes-2020-0109. [PubMed:34380187 ]
- Mitchell KM, Roberts T, Blanchard L: Reflective writing pedagogies in action: a qualitative systematic review. Int J Nurs Educ Scholarsh. 2021 Aug 10;18(1). pii: ijnes-2021-0057. doi: 10.1515/ijnes-2021-0057. [PubMed:34380186 ]
- Daei Sorkhabi A, Sarkesh A, Daei Sorkhabi A, Entezari-Maleki T, Rashedi J, Bannazadeh Baghi H: Vitamin supplementation as a potential adjunctive therapeutic approach for COVID-19: biological and clinical plausibility. J Basic Clin Physiol Pharmacol. 2021 Aug 9. pii: jbcpp-2021-0111. doi: 10.1515/jbcpp-2021-0111. [PubMed:34380185 ]
- Fafure AA, Edem EE, Obisesan AO, Enye LA, Adekeye AO, Adetunji AE, Nebo KE, Olusegun AA, Fafure OE: Fermented maize slurry (Ogi) and its supernatant (Omidun) mitigate elevated intraocular pressure by modulating BDNF expression and glial plasticity in the retina-gut axis of glaucomatous rats. J Complement Integr Med. 2021 Aug 10. pii: jcim-2021-0114. doi: 10.1515/jcim-2021-0114. [PubMed:34380184 ]
- Llamas M, Garo ML, Giovanella L: Low free-T3 serum levels and prognosis of COVID-19: systematic review and meta-analysis. Clin Chem Lab Med. 2021 Aug 10. pii: cclm-2021-0805. doi: 10.1515/cclm-2021-0805. [PubMed:34380183 ]
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