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Compounds

COMPOUND NPA004507

STRUCTURE
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EXTERNAL LINKS
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PROPERTIES
NPAID NPA004507
CLUSTER ID 225
NODE ID 141
NAME Circulocin delta
FORMULA C47H86N10O11
MOLECULAR WEIGHT (Da) 967.2640
ACCURATE MASS (Da) 966.6478
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Bacillus
ORIGIN SPECIES circulans
InChIKey ZBNRZRMJRWWLRA-ANBRHTQSSA-N
InChI InChI=1S/C47H86N10O11/c1-8-29(4)38-43(64)57-39(31(6)58)44(65)54-35(27-36(48)60)41(62)52-30(5)46(67)68-32(7)40(45(66)53-34(25-28(2)3)42(63)56-38)55-37(61)26-33(59)23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-51-47(49)50/h28-35,38-40,58-59H,8-27H2,1-7H3,(H2,48,60)(H,52,62)(H,53,66)(H,54,65)(H,55,61)(H,56,63)(H,57,64)(H4,49,50,51)/t29-,30+,31+,32+,33-,34+,35+,38-,39+,40-/m0/s1
SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)C[C@@H](O)CCCCCCCCCCCCCCCCN=C(N)N)[C@@H](C)OC(=O)[C@@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O
ORIGINAL ISOLATION REFERENCE
CITATION He, Haiyin; Shen, Bo; Korshalla, Joseph; Carter, Guy T Circulocins, new antibacterial lipopeptides from Bacillus circulans , J2154 Tetrahedron 2001 57 (7) 1189-1195.
DOI 10.1016/s0040-4020(00)01135-2 PMID -
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Firmicutes LPSN 1239
Class Bacilli LPSN 91061
Order Bacillales LPSN 1385
Family Bacillaceae LPSN 186817
Genus Bacillus LPSN 1386
REVISIONS
VERSION SMILES CITATION
Original Isolation CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@@H](C(=O)N1)CC(C)C)NC(=O)CC(CCCCCCCCCCCCCCCCN=C(N)N)O)C)C)CC(=O)N)[C@@H](C)O He, Haiyin; Shen, Bo; Korshalla, Joseph; Carter, Guy T Circulocins, new antibacterial lipopeptides from Bacillus circulans , J2154 Tetrahedron 2001 57 (7) 1189-1195. DOI: 10.1016/s0040-4020(00)01135-2
2 CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)C[C@@H](O)CCCCCCCCCCCCCCCCN=C(N)N)[C@@H](C)OC(=O)[C@@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O Cochrane, James R; Exner, Claudia J; Jolliffe, Katrina A Total Synthesis and Reassignment of the Structures of the Antimicrobial Lipodepsipeptides Circulocin γ and δ. Journal of Organic Chemistry 2015 80 (9) 4491-500. DOI: 10.1021/acs.joc.5b00349 PMID: 25826239
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