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Compounds

COMPOUND NPA016115

STRUCTURE
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PROPERTIES
NPAID NPA016115
CLUSTER ID 5541
NODE ID 298
NAME Himastatin
FORMULA C72H104N14O20
MOLECULAR WEIGHT (Da) 1485.7020
ACCURATE MASS (Da) 1484.7551
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Streptomyces
ORIGIN SPECIES hygroscopicus
InChIKey OZPNLJQULOIOGU-AVOHOAQISA-N
InChI InChI=1S/C72H104N14O20/c1-29(2)19-45-57(91)81-53(35(13)87)63(97)83-49(61(95)79-51(31(5)6)67(101)105-55(33(9)10)65(99)85-47(59(93)75-45)23-39(89)27-73-85)25-71(103)41-21-37(15-17-43(41)77-69(71)83)38-16-18-44-42(22-38)72(104)26-50-62(96)80-52(32(7)8)68(102)106-56(34(11)12)66(100)86-48(24-40(90)28-74-86)60(94)76-46(20-30(3)4)58(92)82-54(36(14)88)64(98)84(50)70(72)78-44/h15-18,21-22,29-36,39-40,45-56,69-70,73-74,77-78,87-90,103-104H,19-20,23-28H2,1-14H3,(H,75,93)(H,76,94)(H,79,95)(H,80,96)(H,81,91)(H,82,92)/t35-,36-,39+,40+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55-,56-,69-,70-,71+,72+/m0/s1
SMILES CC(C)C[C@@H]1NC(=O)[C@H]2C[C@@H](O)CNN2C(=O)[C@H](C(C)C)OC(=O)[C@@H](C(C)C)NC(=O)[C@H]2C[C@@]3(O)C4=C(C=CC(C5=CC6=C(C=C5)N[C@H]5N7C(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]8C[C@@H](O)CNN8C(=O)[C@H](C(C)C)OC(=O)[C@@H](C(C)C)NC(=O)[C@H]7C[C@@]65O)=C4)N[C@H]3N2C(=O)[C@@H]([C@H](C)O)NC1=O
ORIGINAL ISOLATION REFERENCE
CITATION Leet; Schroeder; Golik; Matson; Doyle; Lam; Hill; Lee; Whitney; Krishnan Himastatin, a new antitumor antibiotic from Streptomyces hygroscopicus III. Structural elucidation Journal of Antibiotics 1996 49 (3) 299-311.
DOI 10.7164/antibiotics.49.299 PMID 8626248
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Actinobacteria LPSN 201174
Class Actinobacteria LPSN -
Order Streptomycetales LPSN 85011
Family Streptomycetaceae LPSN 2062
Genus Streptomyces LPSN 1883
SYNTHESES
CITATION 1 Kamenecka TM; Danishefsky SJ Total Synthesis of Himastatin: Confirmation of the Revised Stereostructure. Angewandte Chemie International Edition 1998 37 (21) 2995-2998. DOI: 10.1002/(SICI)1521-3773(19981116)37:21<2995::AID-ANIE2995>3.0.CO;2-6 PMID: 29711142
CITATION 2 Kamenecka TM; Danishefsky SJ Studies in the Total Synthesis of Himastatin: A Revision of the Stereochemical Assignment. Angewandte Chemie International Edition 1998 37 (21) 2993-2995. DOI: 10.1002/(SICI)1521-3773(19981116)37:21<2993::AID-ANIE2993>3.0.CO;2-I PMID: 29711127
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