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Compounds

COMPOUND NPA007476

STRUCTURE
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EXTERNAL LINKS
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PROPERTIES
NPAID NPA007476
CLUSTER ID 3346
NODE ID 143
NAME Catenulipeptin
FORMULA C99H152N32O34S2
MOLECULAR WEIGHT (Da) 2398.6290
ACCURATE MASS (Da) 2397.0590
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Catenulispora
ORIGIN SPECIES acidiphila DSM 44928
InChIKey AXDPBAOMGSGZMT-PMTSSQHDSA-N
InChI InChI=1S/C99H152N32O34S2/c1-14-48(12)78-94(161)131-98(39-167-38-64(90(157)121-59(23-76(145)146)88(155)122-60(95(162)163)18-46(8)9)125-84(151)52(15-43(2)3)119-85(152)53(16-44(4)5)126-96(98)164)24-61(83(150)110-36-74(142)127-78)123-86(153)56(20-51-28-103-42-113-51)116-72(140)33-108-81(148)57(21-65(101)133)120-89(156)63-37-166-40-99(97(165)129-77(47(10)11)93(160)128-79(49(13)132)92(159)111-35-73(141)118-63)25-62(82(149)109-34-71(139)115-54(17-45(6)7)91(158)130-99)124-87(154)58(22-75(143)144)117-70(138)32-106-68(136)30-104-67(135)29-105-69(137)31-107-80(147)55(114-66(134)26-100)19-50-27-102-41-112-50/h27-28,41-49,52-64,77-79,132H,14-26,29-40,100H2,1-13H3,(H2,101,133)(H,102,112)(H,103,113)(H,104,135)(H,105,137)(H,106,136)(H,107,147)(H,108,148)(H,109,149)(H,110,150)(H,111,159)(H,114,134)(H,115,139)(H,116,140)(H,117,138)(H,118,141)(H,119,152)(H,120,156)(H,121,157)(H,122,155)(H,123,153)(H,124,154)(H,125,151)(H,126,164)(H,127,142)(H,128,160)(H,129,165)(H,130,158)(H,131,161)(H,143,144)(H,145,146)(H,162,163)/t48-,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,77-,78-,79-,98-,99-/m0/s1
SMILES CC[C@H](C)[C@H]1C(=O)N[C@@]2(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@H](CC3=CN=CN3)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4CSC[C@@]5(C[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N5)CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC6=CN=CN6)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N4)[C@@H](C)O)C(C)C)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC(C)C)CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O
ORIGINAL ISOLATION REFERENCE
CITATION Wang, Huan; Donk, Wilfred A. van der Biosynthesis of the Class III Lantipeptide Catenulipeptin ACS Chemical Biology 2012 7 (9) 1529-1535.
DOI 10.1021/cb3002446 PMID 22725258
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Actinobacteria LPSN 201174
Class Actinobacteria LPSN -
Order Catenulisporales LPSN 414714
Family Catenulisporaceae LPSN 414877
Genus Catenulispora LPSN 414878
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