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Compounds

COMPOUND NPA032042

STRUCTURE
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PROPERTIES
NPAID NPA032042
CLUSTER ID 1167
NODE ID 141
NAME Burhizin-23
FORMULA C105H156N32O42
MOLECULAR WEIGHT (Da) 2538.5850
ACCURATE MASS (Da) 2537.1055
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Mycetohabitans
ORIGIN SPECIES rhizoxinica
InChIKey XCVJSGOQSVEUGH-ZCZCIGIGSA-N
InChI InChI=1S/C105H156N32O42/c1-7-48(4)84(102(176)133-68(39-81(156)157)98(172)135-70(46-139)100(174)132-67(38-80(154)155)97(171)130-66(37-79(152)153)96(170)127-62(103(177)178)25-29-77(148)149)137-91(165)58(18-13-33-113-105(110)111)124-95(169)65(36-78(150)151)131-99(173)69(45-138)134-94(168)64(35-52-40-114-55-15-9-8-14-54(52)55)129-88(162)56(17-12-32-112-104(108)109)121-74(144)42-117-86(160)50(6)120-87(161)60(24-28-76(146)147)126-101(175)83(47(2)3)136-92(166)61-26-30-82(158)179-118-44-72(142)115-41-73(143)119-49(5)85(159)116-43-75(145)122-59(23-27-71(107)141)90(164)128-63(34-51-19-21-53(140)22-20-51)93(167)123-57(89(163)125-61)16-10-11-31-106/h8-9,14-15,19-22,40,47-50,56-70,83-84,114,118,138-140H,7,10-13,16-18,23-39,41-46,106H2,1-6H3,(H2,107,141)(H,115,142)(H,116,159)(H,117,160)(H,119,143)(H,120,161)(H,121,144)(H,122,145)(H,123,167)(H,124,169)(H,125,163)(H,126,175)(H,127,170)(H,128,164)(H,129,162)(H,130,171)(H,131,173)(H,132,174)(H,133,176)(H,134,168)(H,135,172)(H,136,166)(H,137,165)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,177,178)(H4,108,109,112)(H4,110,111,113)/t48-,49-,50-,56-,57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-,83-,84-/m0/s1
SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)ONCC(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CCCCN)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
ORIGINAL ISOLATION REFERENCE
CITATION Bratovanov, Evgeni V; Ishida, Keishi; Heinze, Beatrix; Pidot, Sacha J; Stinear, Timothy P; Hegemann, Julian D; Marahiel, Mohamed A; Hertweck, Christian Genome Mining and Heterologous Expression Reveal Two Distinct Families of Lasso Peptides Highly Conserved in Endofungal Bacteria. ACS Chemical Biology 2020 15 (5) 1169-1176.
DOI 10.1021/acschembio.9b00805 PMID 31800204
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Proteobacteria LPSN 1224
Class Betaproteobacteria LPSN 28216
Order Burkholderiales LPSN 80840
Family Burkholderiaceae LPSN 119060
Genus Mycetohabitans LPSN -
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