Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA020220
PROPERTIES
NPAID | NPA020220 |
---|---|
CLUSTER ID | 6088 |
NODE ID | 143 |
NAME | Mohangamide B |
FORMULA | C106H139N17O26 |
MOLECULAR WEIGHT (Da) | 2067.3710 |
ACCURATE MASS (Da) | 2066.0077 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | WMHLUUIMDLSARH-KLBNHQCUSA-N |
InChI | InChI=1S/C106H139N17O26/c1-12-14-18-30-69-31-24-25-32-70(69)38-44-88(133)120-92-64(10)149-106(147)83(58-125)118-97(138)81(55-86(108)131)116-101(142)89(61(7)126)121-98(139)78(50-65-26-20-16-21-27-65)111-93(134)75(48-59(3)4)110-95(136)77(52-67-34-40-73(128)41-35-67)114-103(144)91(119-87(132)45-39-71-46-47-109-56-72(71)33-19-15-13-2)63(9)148-105(146)82(57-124)117-96(137)80(54-85(107)130)115-102(143)90(62(8)127)122-99(140)79(51-66-28-22-17-23-29-66)112-94(135)76(49-60(5)6)113-100(141)84(123(11)104(92)145)53-68-36-42-74(129)43-37-68/h16-44,46-47,53,59-64,72,75-83,89-92,109,124-129H,12-15,45,48-52,54-58H2,1-11H3,(H2,107,130)(H2,108,131)(H,110,136)(H,111,134)(H,112,135)(H,113,141)(H,114,144)(H,115,143)(H,116,142)(H,117,137)(H,118,138)(H,119,132)(H,120,133)(H,121,139)(H,122,140)/b30-18-,33-19-,44-38+,71-39-,84-53+/t61-,62-,63+,64+,72+,75-,76-,77+,78+,79+,80-,81-,82-,83-,89-,90-,91-,92-/m0/s1 |
SMILES | CCC/C=C\[C@@H]\1CNC=C/C1=C/CC(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)/C(=C\C3=CC=C(C=C3)O)/N(C(=O)[C@H]([C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC2=O)CC4=CC=C(C=C4)O)CC(C)C)CC5=CC=CC=C5)[C@H](C)O)CC(=O)N)CO)C)NC(=O)/C=C/C6=CC=CC=C6/C=C\CCC)C)CC(C)C)CC7=CC=CC=C7)[C@H](C)O)CC(=O)N)CO)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Bae, Munhyung; Kim, Heegyu; Moon, Kyuho; Nam, Sang-Jip; Shin, Jongheon; Oh, Ki-Bong; Oh, Dong-Chan Mohangamides A and B, new dilactone-tethered pseudo-dimeric peptides inhibiting candida albicans isocitrate lyase Organic Letters 2015 17 (3) 712-715. | ||
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DOI | 10.1021/ol5037248 | PMID | 25622093 |