Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032995
PROPERTIES
| NPAID | NPA032995 |
|---|---|
| CLUSTER ID | 9521 |
| NODE ID | 141 |
| NAME | Pristinin A3 |
| FORMULA | C122H179N31O33S3 |
| MOLECULAR WEIGHT (Da) | 2704.1590 |
| ACCURATE MASS (Da) | 2702.2444 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | pristinaespiralis ATCC 25468 |
| InChIKey | XKZLKDYMCFLUDM-BUODZYAESA-N |
| InChI | InChI=1S/C122H179N31O33S3/c1-27-55(8)92(120(184)139-57(10)97(161)126-49-88(156)127-58(11)107(171)152-93-70(23)188-44-43-123-87(155)48-125-96(160)56(9)135-112(176)81(41-42-89(157)158)143-113(177)82(145-121(93)185)45-72-37-39-74(154)40-38-72)151-109(173)69(22)134-102(166)62(15)130-99(163)60(13)128-98(162)59(12)129-100(164)61(14)131-103(167)64(17)136-116(180)85-51-187-50-84(115(179)138-66(19)105(169)142-79(29-3)111(175)144-83(114(178)147-85)46-73-47-124-80-36-31-30-33-75(73)80)146-106(170)67(20)140-118(182)90(53(4)5)149-108(172)68(21)133-101(165)63(16)132-104(168)65(18)137-117(181)86-52-189-71(24)94(153(25)26)122(186)141-78(28-2)95(159)76-34-32-35-77(76)110(174)150-91(54(6)7)119(183)148-86/h28-31,33,36-40,43-44,47,53-65,67-71,76-77,81-86,90-94,124,154H,19,27,32,34-35,41-42,45-46,48-52H2,1-18,20-26H3,(H,123,155)(H,125,160)(H,126,161)(H,127,156)(H,128,162)(H,129,164)(H,130,163)(H,131,167)(H,132,168)(H,133,165)(H,134,166)(H,135,176)(H,136,180)(H,137,181)(H,138,179)(H,139,184)(H,140,182)(H,141,186)(H,142,169)(H,143,177)(H,144,175)(H,145,185)(H,146,170)(H,147,178)(H,148,183)(H,149,172)(H,150,174)(H,151,173)(H,152,171)(H,157,158)/b44-43-,78-28-,79-29- |
| SMILES | C=C1NC(=O)C(NC(=O)C(C)NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C2CSC(C)C(N(C)C)C(=O)N/C(=C\C)C(=O)C3CCCC3C(=O)NC(C(C)C)C(=O)N2)C(C)C)CSCC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(=O)NC(C)C(=O)NCC(=O)NC(C)C(=O)NC2C(=O)NC(CC3=CC=C(O)C=C3)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NCC(=O)N/C=C\SC2C)C(C)CC)NC(=O)C(CC2=C[NH]C3=CC=CC=C23)NC(=O)/C(=C/C)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kloosterman, Alexander M.; Cimermancic, Peter; Elsayed, Somayah S.; Du, Chao; Hadjithomas, Michalis; Donia, Mohamed S.; Fischbach, Michael A.; van Wezel, Gilles P.; Medema, Marnix H. Expansion of RiPP biosynthetic space through integration of pan-genomics and machine learning uncovers a novel class of lantibiotics PLoS Biology 2020 18 (12 ) e3001026. | ||
|---|---|---|---|
| DOI | 10.1371/journal.pbio.3001026 | PMID | 33351797 |
