Persistenter Identifikator:
(DOI) 10.0133/29653
Alternativer Identifier:
(Reaxys Registry Number) 28983278
(Reaxys Registry Number) 28983279
(Reaxys Registry Number) 28983280
(Reaxys Registry Number) 28983281
(Reaxys Registry Number) 28983282
(Reaxys Registry Number) 28983283
(CAS Registry Number) 1821370-23-3
(CAS Registry Number) 1821370-24-4
(CAS Registry Number) 1821370-25-5
(CAS Registry Number) 1821370-26-6
(CAS Registry Number) 1821189-58-5
(CAS Registry Number) 1821189-60-9
(Compound ID (Peptaibiotics Database)) 1380
(Compound ID (Peptaibiotics Database)) 1381
(Compound ID (Peptaibiotics Database)) 1382
(Compound ID (Peptaibiotics Database)) 1383
Verwandter Identifier:
(Is Supplement To) 10.1002/ejoc.201501124 - DOI
Ersteller/Autor:
Otto, Alexander [Department of Bioorganic Chemistry, Leibniz Institute of Plant Biochemistry, Halle/Saale, Germany]
Laub, Annegret [Department of Bioorganic Chemistry, Leibniz Institute of Plant Biochemistry, Halle/Saale, Germany]
Porzel, Andrea [Department of Bioorganic Chemistry, Leibniz Institute of Plant Biochemistry, Halle/Saale, Germany] https://orcid.org/0000-0002-8148-6895
Schmidt, Jürgen [Department of Bioorganic Chemistry, Leibniz Institute of Plant Biochemistry, Halle/Saale, Germany]
Wessjohann, Ludger [Department of Bioorganic Chemistry, Leibniz Institute of Plant Biochemistry, Halle/Saale, Germany] https://orcid.org/0000-0003-2060-8235
Westermann, Bernhard [Department of Bioorganic Chemistry, Leibniz Institute of Plant Biochemistry, Halle/Saale, Germany]
Arnold, Norbert [Department of Bioorganic Chemistry, Leibniz Institute of Plant Biochemistry, Halle/Saale, Germany]
Beitragende:
(Data Curator) Lange, Frank [Department of Bioorganic Chemistry, Leibniz Institute of Plant Biochemistry, Halle/Saale, Germany] https://orcid.org/0000-0002-9346-6031
Titel:
NMR data of natural and synthetic albupeptins A-D
Weitere Titel:
-
Beschreibung:
-
Schlagworte:
peptides
peptaibols
amino acids
natural products
structure elucidation
configuration determination
albupeptin A
albupeptin B
albupeptin C
albupeptin D
1H NMR
13C NMR
15N NMR
DEPT
DQCOSY
HMBC
HSQC
ROESY
TOCSY
Zugehörige Informationen:
(amino acid sequence of albupeptin A) Ac-Aib Aib Val Leu Aib Pro D-Iva Leu Gln Aib Leuol
(amino acid sequence of albupeptin B) Ac-Aib Aib Val Leu Iva Pro D-Iva Leu Gln Aib Leuol
(amino acid sequence of the synthetic diastereomer of albupeptin B (DD)) Ac-Aib Aib Val Leu D-Iva Pro D-Iva Leu Gln Aib Leuol
(amino acid sequence of albupeptin C) Ac-D-Iva Aib Val Leu Aib Pro D-Iva Leu Gln Aib Leuol
(amino acid sequence of albupeptin D) Ac-D-Iva Aib Val Leu Iva Pro D-Iva Leu Gln Aib Leuol
(amino acid sequence of the synthetic diastereomer of albupeptin D (DDD)) Ac-D-Iva Aib Val Leu D-Iva Pro D-Iva Leu Gln Aib Leuol
(InChI of albupeptin A) InChI=1S/C56H100N12O13/c1-20-56(19,50(80)61-37(27-31(4)5)42(72)59-36(23-24-40(57)71)43(73)64-52(11,12)47(77)58-35(29-69)26-30(2)3)66-45(75)39-22-21-25-68(39)51(81)55(17,18)65-44(74)38(28-32(6)7)60-46(76)41(33(8)9)62-48(78)53(13,14)67-49(79)54(15,16)63-34(10)70/h30-33,35-39,41,69H,20-29H2,1-19H3,(H2,57,71)(H,58,77)(H,59,72)(H,60,76)(H,61,80)(H,62,78)(H,63,70)(H,64,73)(H,65,74)(H,66,75)(H,67,79)/t35-,36-,37-,38-,39-,41-,56 /m0/s1
(InChI of albupeptin B) InChI=1S/C57H102N12O13/c1-20-56(18,51(81)62-38(28-32(5)6)43(73)60-37(24-25-41(58)72)44(74)65-53(12,13)48(78)59-36(30-70)27-31(3)4)67-46(76)40-23-22-26-69(40)52(82)57(19,21-2)66-45(75)39(29-33(7)8)61-47(77)42(34(9)10)63-49(79)54(14,15)68-50(80)55(16,17)64-35(11)71/h31-34,36-40,42,70H,20-30H2,1-19H3,(H2,58,72)(H,59,78)(H,60,73)(H,61,77)(H,62,81)(H,63,79)(H,64,71)(H,65,74)(H,66,75)(H,67,76)(H,68,80)/t36-,37-,38-,39-,40-,42-,56 ,57-/m0/s1
(InChI of the synthetic diastereomer of albupeptin B (DD)) InChI=1S/C57H102N12O13/c1-20-56(18,51(81)62-38(28-32(5)6)43(73)60-37(24-25-41(58)72)44(74)65-53(12,13)48(78)59-36(30-70)27-31(3)4)67-46(76)40-23-22-26-69(40)52(82)57(19,21-2)66-45(75)39(29-33(7)8)61-47(77)42(34(9)10)63-49(79)54(14,15)68-50(80)55(16,17)64-35(11)71/h31-34,36-40,42,70H,20-30H2,1-19H3,(H2,58,72)(H,59,78)(H,60,73)(H,61,77)(H,62,81)(H,63,79)(H,64,71)(H,65,74)(H,66,75)(H,67,76)(H,68,80)/t36-,37-,38-,39-,40-,42-,56 ,57 /m0/s1
(InChI of albupeptin C) InChI=1S/C57H102N12O13/c1-20-56(18,50(80)62-38(28-32(5)6)43(73)60-37(24-25-41(58)72)44(74)65-53(12,13)48(78)59-36(30-70)27-31(3)4)67-46(76)40-23-22-26-69(40)52(82)55(16,17)66-45(75)39(29-33(7)8)61-47(77)42(34(9)10)63-49(79)54(14,15)68-51(81)57(19,21-2)64-35(11)71/h31-34,36-40,42,70H,20-30H2,1-19H3,(H2,58,72)(H,59,78)(H,60,73)(H,61,77)(H,62,80)(H,63,79)(H,64,71)(H,65,74)(H,66,75)(H,67,76)(H,68,81)/t36-,37-,38-,39-,40-,42-,56 ,57 /m0/s1
(InChI of albupeptin D) InChI=1S/C58H104N12O13/c1-20-56(17,51(81)63-39(29-33(6)7)44(74)61-38(25-26-42(59)73)45(75)66-54(13,14)49(79)60-37(31-71)28-32(4)5)68-47(77)41-24-23-27-70(41)53(83)58(19,22-3)67-46(76)40(30-34(8)9)62-48(78)43(35(10)11)64-50(80)55(15,16)69-52(82)57(18,21-2)65-36(12)72/h32-35,37-41,43,71H,20-31H2,1-19H3,(H2,59,73)(H,60,79)(H,61,74)(H,62,78)(H,63,81)(H,64,80)(H,65,72)(H,66,75)(H,67,76)(H,68,77)(H,69,82)/t37-,38-,39-,40-,41-,43-,56 ,57 ,58-/m0/s1
(InChI of the synthetic diastereomer of albupeptin D (DDD)) InChI=1S/C58H104N12O13/c1-20-56(17,51(81)63-39(29-33(6)7)44(74)61-38(25-26-42(59)73)45(75)66-54(13,14)49(79)60-37(31-71)28-32(4)5)68-47(77)41-24-23-27-70(41)53(83)58(19,22-3)67-46(76)40(30-34(8)9)62-48(78)43(35(10)11)64-50(80)55(15,16)69-52(82)57(18,21-2)65-36(12)72/h32-35,37-41,43,71H,20-31H2,1-19H3,(H2,59,73)(H,60,79)(H,61,74)(H,62,78)(H,63,81)(H,64,80)(H,65,72)(H,66,75)(H,67,76)(H,68,77)(H,69,82)/t37-,38-,39-,40-,41-,43-,56 ,57 ,58 /m0/s1
Sprache:
-
Herausgeber:
Leibniz Institute of Plant Biochemistry, Halle/Saale, Germany
Erstellungsjahr:
Fachgebiet:
Biochemistry
Chemistry
Life Science
Objekttyp:
Dataset
Datenquelle:
(Organism) Gliocladium album (Preuss) Petch (strain KSH 719)
(Instrument) Agilent VNMRS 600
Verwendete Software:
Software für Datenerhebung
Software:
VnmrJ - 4.0
Alternative Software:
-
Verwendete Software:
Software für Datenbetrachtung
Software:
VnmrJ - 4.0
Alternative Software:
MestReNova - 10.0.2-15465
Datenverarbeitung:
-
Erscheinungsjahr:
Lizenz:
CC BY 4.0 Attribution
Rechteinhaber:
Leibniz Institute of Plant Biochemistry, Halle/Saale, Germany
Förderung:
-
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Status:
PUBLISHED
Eingestellt von:
flange2
Erstellt am:
Archivierungsdatum:
2017-03-07
Archivgröße:
24,8 MB
Archiversteller:
flange2
Archiv-Prüfsumme:
9240fefff495c98460db0274ad0dd1fe (MD5)
Ende des Embargo-Zeitraums:
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Datenpaket Status:
PUBLISHED
Dieses Datenpaket zitieren:
Otto, Alexander; Laub, Annegret; Porzel, Andrea; et al. (2017): NMR data of natural and synthetic albupeptins A-D. Leibniz Institute of Plant Biochemistry, Halle/Saale, Germany.
DOI:
10.0133/29653