Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA014131
PROPERTIES
NPAID | NPA014131 |
---|---|
CLUSTER ID | 2129 |
NODE ID | 1705 |
NAME | Sanglifehrin A |
FORMULA | C60H91N5O13 |
MOLECULAR WEIGHT (Da) | 1090.4100 |
ACCURATE MASS (Da) | 1089.6613 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. A92-308110 |
InChIKey | ONJZYZYZIKTIEG-CFBQITSMSA-N |
InChI | InChI=1S/C60H91N5O13/c1-11-43-30-37(6)60(63-55(43)72)41(10)53(70)40(9)51(78-60)33-49(69)35(4)20-14-12-15-21-36(5)50-26-17-13-16-25-48(68)39(8)54(71)45(28-27-38(7)66)56(73)62-52(34(2)3)57(74)61-47(32-42-22-18-23-44(67)31-42)58(75)65-29-19-24-46(64-65)59(76)77-50/h12-13,15-18,21-23,25,31,34-35,37,39-41,43,45-54,64,67-71H,11,14,19-20,24,26-30,32-33H2,1-10H3,(H,61,74)(H,62,73)(H,63,72)/b15-12+,17-13+,25-16+,36-21+/t35-,37-,39-,40-,41-,43-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54+,60+/m0/s1 |
SMILES | CC[C@H]1C[C@@H]([C@@]2([C@H]([C@H]([C@H]([C@@H](O2)C[C@@H]([C@@H](C)CC/C=C/C=C(\C)/[C@@H]3C/C=C/C=C/[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O3)CC5=CC(=CC=C5)O)C(C)C)CCC(=O)C)O)C)O)O)C)O)C)NC1=O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Fehr, Theodor; Kallen, JOeRG; Oberer, Lukas; Sanglier, Jean-Jacques; Schilling, Wolfgang Sanglifehrins A, B, C and D, novel cyclophilin-binding compounds isolated from Streptomyces sp. A92-308110. II. Structure elucidation, stereochemistry and physico-chemical properties Journal of Antibiotics 1999 52 (5) 474-479. | ||
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DOI | 10.7164/antibiotics.52.474 | PMID | 10480571 |