Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027376
PROPERTIES
| NPAID | NPA027376 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Oscillacyclamide B |
| FORMULA | C113H147N29O34S3 |
| MOLECULAR WEIGHT (Da) | 2551.7890 |
| ACCURATE MASS (Da) | 2549.9827 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Oscillatoria |
| ORIGIN SPECIES | sp. PCC 6506 |
| InChIKey | RZFSXQCTAPBBLA-CNENNZGJSA-N |
| InChI | InChI=1S/C113H147N29O34S3/c1-53(2)31-65-93(159)121-44-89(156)142-30-16-23-82(142)108(174)132-72(32-54(3)4)111-137-79(50-177-111)96(162)120-41-86(153)122-64(28-29-83(114)150)97(163)126-66(33-57-17-10-8-11-18-57)94(160)118-43-88(155)124-78(49-147)113-139-80(52-179-113)106(172)131-73(38-85(116)152)112-138-81(51-178-112)107(173)135-76(47-145)104(170)140-91(55(5)6)109(175)136-75(46-144)103(169)133-74(45-143)95(161)119-42-87(154)123-71(39-90(157)158)102(168)127-67(35-59-24-26-61(149)27-25-59)98(164)128-69(36-60-40-117-63-22-15-14-21-62(60)63)100(166)134-77(48-146)105(171)141-92(56(7)148)110(176)130-68(34-58-19-12-9-13-20-58)99(165)129-70(37-84(115)151)101(167)125-65/h8-15,17-22,24-27,40,50-56,64-78,82,91-92,117,143-149H,16,23,28-39,41-49H2,1-7H3,(H2,114,150)(H2,115,151)(H2,116,152)(H,118,160)(H,119,161)(H,120,162)(H,121,159)(H,122,153)(H,123,154)(H,124,155)(H,125,167)(H,126,163)(H,127,168)(H,128,164)(H,129,165)(H,130,176)(H,131,172)(H,132,174)(H,133,169)(H,134,166)(H,135,173)(H,136,175)(H,140,170)(H,141,171)(H,157,158)/t56-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,82+,91+,92+/m1/s1 |
| SMILES | CC(C)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=C[NH]C3=CC=CC=C23)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)C2=CSC(=N2)[C@H](CC(N)=O)NC(=O)C2=CSC(=N2)[C@H](CO)NC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)C2=CSC(=N2)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CNC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Alexandru-Crivac CN; Umeobika C; Leikoski N; Jokela J; Rickaby KA; Grilo AM; Sjö P; Plowright AT; Idress M; Siebs E; Nneoyi-Egbe A; Wahlsten M; Sivonen K; Jaspars M; Trembleau L; Fewer DP; Houssen WE Cyclic peptide production using a macrocyclase with enhanced substrate promiscuity and relaxed recognition determinants. Chemical Communications 2017 53 (77) 10656-10659. | ||
|---|---|---|---|
| DOI | 10.1039/c7cc05913b | PMID | 28905052 |
