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Compounds

COMPOUND NPA028609

STRUCTURE
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PROPERTIES
NPAID NPA028609
CLUSTER ID 8550
NODE ID 5785
NAME Aeronamide A
FORMULA C195H330N50O58
MOLECULAR WEIGHT (Da) 4303.0770
ACCURATE MASS (Da) 4300.4410
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Microvirgula
ORIGIN SPECIES aerodenitrificans
InChIKey DRJALLWOIJKMJI-OXLRMDFFSA-N
InChI InChI=1S/C195H330N50O58/c1-64-120(251)170(284)245-146(195(57,58)65-2)187(301)219-104(33)161(275)240-142(191(45,46)47)183(297)236-134(87(13)14)175(289)228-119(77-189(39,40)41)169(283)234-133(86(11)12)173(287)217-103(32)160(274)233-135(88(15)16)176(290)242-141(190(42,43)44)182(296)204-80-128(259)207-90(19)147(261)208-93(22)150(264)209-94(23)151(265)210-95(24)152(266)213-100(29)157(271)232-136(89(17)18)177(291)243-144(193(51,52)53)185(299)239-140(109(38)249)180(294)226-113(71-110-66-68-111(250)69-67-110)166(280)225-112(70-82(3)4)162(276)201-78-126(257)205-91(20)148(262)212-97(26)154(268)224-118(76-125(256)200-63)168(282)241-143(192(48,49)50)184(298)235-130(83(5)6)171(285)203-79-127(258)206-92(21)149(263)211-96(25)153(267)221-114(72-121(252)196-59)163(277)202-81-129(260)229-137(106(35)246)181(295)244-145(194(54,55)56)186(300)238-138(107(36)247)178(292)218-99(28)156(270)222-115(73-122(253)197-60)164(278)214-101(30)158(272)230-131(84(7)8)172(286)216-98(27)155(269)223-117(75-124(255)199-62)167(281)237-139(108(37)248)179(293)227-116(74-123(254)198-61)165(279)215-102(31)159(273)231-132(85(9)10)174(288)220-105(34)188(302)303/h66-69,82-109,112-119,130-146,246-250H,64-65,70-81H2,1-63H3,(H,196,252)(H,197,253)(H,198,254)(H,199,255)(H,200,256)(H,201,276)(H,202,277)(H,203,285)(H,204,296)(H,205,257)(H,206,258)(H,207,259)(H,208,261)(H,209,264)(H,210,265)(H,211,263)(H,212,262)(H,213,266)(H,214,278)(H,215,279)(H,216,286)(H,217,287)(H,218,292)(H,219,301)(H,220,288)(H,221,267)(H,222,270)(H,223,269)(H,224,268)(H,225,280)(H,226,294)(H,227,293)(H,228,289)(H,229,260)(H,230,272)(H,231,273)(H,232,271)(H,233,274)(H,234,283)(H,235,298)(H,236,297)(H,237,281)(H,238,300)(H,239,299)(H,240,275)(H,241,282)(H,242,290)(H,243,291)(H,244,295)(H,245,284)(H,302,303)/t90-,91+,92+,93+,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104+,105-,106-,107-,108+,109-,112+,113-,114+,115+,116+,117+,118+,119-,130+,131+,132+,133+,134+,135+,136+,137+,138+,139-,140+,141+,142+,143+,144+,145+,146+/m0/s1
SMILES CCC(=O)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)NC)C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)NC)C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)NC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)NC)C(=O)N[C@H](C(=O)N[C@H](CC(=O)NC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)O)C(C)C)[C@@H](C)O)C(C)C)[C@H](C)O)C(C)(C)C)[C@H](C)O)C(C)C)C(C)(C)C)[C@H](C)O)C(C)(C)C)C(C)C)C(C)(C)C)C(C)C)C(C)C)C(C)C)C(C)(C)C)C(C)(C)CC
ORIGINAL ISOLATION REFERENCE
CITATION Bhushan A; Egli PJ; Peters EE; Freeman MF; Piel J Genome mining- and synthetic biology-enabled production of hypermodified peptides. Nature Chemistry 2019 11 (10) 931-939.
DOI 10.1038/s41557-019-0323-9 PMID 31501509
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Proteobacteria LPSN 1224
Class Betaproteobacteria LPSN 28216
Order Neisseriales LPSN 206351
Family Chromobacteriaceae LPSN 1499392
Genus Microvirgula LPSN 57479
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