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Compounds

COMPOUND NPA012597

STRUCTURE
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PROPERTIES
NPAID NPA012597
CLUSTER ID 26
NODE ID 25
NAME Lyngbyacyclamide B
FORMULA C69H114N14O20
MOLECULAR WEIGHT (Da) 1459.7490
ACCURATE MASS (Da) 1458.8334
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Lyngbya
ORIGIN SPECIES sp.
InChIKey ULYQTNOQCWEVIN-AEASQKAWSA-N
InChI InChI=1S/C69H114N14O20/c1-13-15-16-17-21-24-41-31-49(89)77-50(35(5)6)63(97)80-53(56(90)36(7)8)65(99)73-43(27-28-84)59(93)75-45(29-34(3)4)60(94)74-44(25-26-48(70)88)68(102)82(12)55(37(9)14-2)67(101)81-54(57(91)58(71)92)66(100)79-52(39(11)86)69(103)83-33-42(87)32-47(83)62(96)76-46(30-40-22-19-18-20-23-40)61(95)78-51(38(10)85)64(98)72-41/h18-20,22-23,34-39,41-47,50-57,84-87,90-91H,13-17,21,24-33H2,1-12H3,(H2,70,88)(H2,71,92)(H,72,98)(H,73,99)(H,74,94)(H,75,93)(H,76,96)(H,77,89)(H,78,95)(H,79,100)(H,80,97)(H,81,101)/t37-,38+,39+,41+,42+,43-,44-,45+,46+,47-,50-,51-,52-,53-,54-,55-,56+,57-/m0/s1
SMILES CCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CC3=CC=CC=C3)O)[C@@H](C)O)[C@@H](C(=O)N)O)[C@@H](C)CC)C)CCC(=O)N)CC(C)C)CCO)[C@@H](C(C)C)O)C(C)C
ORIGINAL ISOLATION REFERENCE
CITATION Maru, Norihito; Ohno, Osamu; Uemura, Daisuke Lyngbyacyclamides A and B, novel cytotoxic peptides from marine cyanobacteria Lyngbya sp Tetrahedron Letters 2010 51 (49) 6384-6387.
DOI 10.1016/j.tetlet.2010.06.105 PMID -
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Cyanobacteria LPSN 1117
Class Cyanophyceae LPSN -
Order Oscillatoriales LPSN 1150
Family Oscillatoriaceae LPSN 1892254
Genus Lyngbya LPSN 28073
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