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Compounds

COMPOUND NPA028648

STRUCTURE
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EXTERNAL LINKS
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PROPERTIES
NPAID NPA028648
CLUSTER ID 8560
NODE ID 4418
NAME Ramoplanin A3
FORMULA C120H156ClN21O40
MOLECULAR WEIGHT (Da) 2568.1280
ACCURATE MASS (Da) 2566.0507
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Actinoplanes
ORIGIN SPECIES sp. ATCC 33076
InChIKey CFIGZBIRUKWIED-ISYBQQJVSA-N
InChI InChI=1S/C120H156ClN21O40/c1-55(2)18-12-9-10-15-23-83(154)128-78(51-82(124)153)108(167)142-94-100(102(125)161)181-118(177)93(67-34-45-79(152)73(121)50-67)141-103(162)57(5)127-106(165)76(48-56(3)4)129-84(155)52-126-109(168)88(62-24-35-68(148)36-25-62)137-112(171)87(60(8)147)135-114(173)90(66-32-43-72(44-33-66)178-120-101(98(159)96(157)81(54-144)180-120)182-119-99(160)97(158)95(156)80(53-143)179-119)136-105(164)74(21-16-46-122)130-107(166)77(49-61-19-13-11-14-20-61)132-110(169)85(58(6)145)134-115(174)91(64-28-39-70(150)40-29-64)139-116(175)92(65-30-41-71(151)42-31-65)138-111(170)86(59(7)146)133-104(163)75(22-17-47-123)131-113(172)89(140-117(94)176)63-26-37-69(149)38-27-63/h9-11,13-15,19-20,23-45,50,55-60,74-78,80-81,85-101,119-120,143-152,156-160H,12,16-18,21-22,46-49,51-54,122-123H2,1-8H3,(H2,124,153)(H2,125,161)(H,126,168)(H,127,165)(H,128,154)(H,129,155)(H,130,166)(H,131,172)(H,132,169)(H,133,163)(H,134,174)(H,135,173)(H,136,164)(H,137,171)(H,138,170)(H,139,175)(H,140,176)(H,141,162)(H,142,167)/b10-9+,23-15-/t57-,58+,59-,60-,74-,75-,76+,77+,78+,80-,81-,85+,86-,87-,88+,89-,90+,91-,92+,93+,94+,95-,96-,97+,98+,99+,100+,101+,119-,120+/m1/s1
SMILES CC(C)CC/C=C/C=C\C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C(=O)N[C@H](C2=CC=C(O)C=C2)C(=O)N[C@H](CCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](C2=CC=C(O)C=C2)C(=O)N[C@H](C2=CC=C(O)C=C2)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CCCN)C(=O)N[C@@H](C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)C=C2)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](C2=CC=C(O)C=C2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](C2=CC(Cl)=C(O)C=C2)C(=O)O[C@@H]1C(N)=O
ORIGINAL ISOLATION REFERENCE
CITATION Ciabatti R; Kettenring JK; Winters G; Tuan G; Zerilli L; Cavalleri B Ramoplanin (A-16686), a new glycolipodepsipeptide antibiotic. III. Structure elucidation. Journal of Antibiotics 1989 42 (2) 254-267.
DOI 10.7164/antibiotics.42.254 PMID 2597278
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Actinobacteria LPSN 201174
Class Actinobacteria LPSN -
Order Micromonosporales LPSN 85008
Family Micromonosporaceae LPSN 28056
Genus Actinoplanes LPSN 1865
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