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Compounds

COMPOUND NPA013181

STRUCTURE
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PROPERTIES
NPAID NPA013181
CLUSTER ID 4859
NODE ID 3502
NAME Goadsporin
FORMULA C72H97N19O20S2
MOLECULAR WEIGHT (Da) 1612.8150
ACCURATE MASS (Da) 1611.6599
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Streptomyces
ORIGIN SPECIES sp. TP-A0584
InChIKey JYUWJUDWHAUBBT-SQDQPZCFSA-N
InChI InChI=1S/C72H97N19O20S2/c1-19-33(10)53(89-67(105)56-40(17)111-70(91-56)37(14)79-63(101)51(31(6)7)87-66(104)55-39(16)110-69(90-55)36(13)76-41(18)93)64(102)82-43(21-30(4)5)71-85-47(28-113-71)61(99)83-44(25-92)58(96)74-22-48(94)73-23-49-86-54(38(15)109-49)65(103)81-42(20-29(2)3)59(97)78-35(12)68-84-45(26-108-68)60(98)77-34(11)57(95)75-24-50-80-46(27-112-50)62(100)88-52(32(8)9)72(106)107/h26-34,36,42-44,51-53,92H,12,14,19-25H2,1-11,13,15-18H3,(H,73,94)(H,74,96)(H,75,95)(H,76,93)(H,77,98)(H,78,97)(H,79,101)(H,81,103)(H,82,102)(H,83,99)(H,87,104)(H,88,100)(H,89,105)(H,106,107)/t33-,34-,36-,42-,43-,44-,51-,52-,53-/m0/s1
SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C1=NC(=CS1)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC2=NC(=C(O2)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(=C)C3=NC(=CO3)C(=O)N[C@@H](C)C(=O)NCC4=NC(=CS4)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)C5=C(OC(=N5)C(=C)NC(=O)[C@H](C(C)C)NC(=O)C6=C(OC(=N6)[C@H](C)NC(=O)C)C)C
ORIGINAL ISOLATION REFERENCE
CITATION Igarashi, Y; Kan, Y; Fujii, K; Fujita, T; Harada, K; Naoki, H; Tabata, H; Onaka, H; Furumai, T Goadsporin, a chemical substance which promotes secondary metabolism and Morphogenesis in streptomycetes. II. Structure determination Journal of Antibiotics 2001 54 (12) 1045-1053.
DOI 10.7164/antibiotics.54.1045 PMID 11858659
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Actinobacteria LPSN 201174
Class Actinobacteria LPSN -
Order Streptomycetales LPSN 85011
Family Streptomycetaceae LPSN 2062
Genus Streptomyces LPSN 1883
SYNTHESES
CITATION 1 Dexter HL; Williams HE; Lewis W; Moody CJ Total Synthesis of the Post-translationally Modified Polyazole Peptide Antibiotic Goadsporin. Angewandte Chemie International Edition 2017 56 (11) 3069-3073. DOI: 10.1002/anie.201612103 PMID: 28145618
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