Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003883
PROPERTIES
| NPAID | NPA003883 |
|---|---|
| CLUSTER ID | 1166 |
| NODE ID | 143 |
| NAME | Propeptin-2 |
| FORMULA | C105H130N24O24 |
| MOLECULAR WEIGHT (Da) | 2112.3390 |
| ACCURATE MASS (Da) | 2110.9690 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microbispora |
| ORIGIN SPECIES | sp. |
| InChIKey | PJLAJTRQRNGCQF-UHFFFAOYSA-N |
| InChI | InChI=1S/C105H130N24O24/c1-6-57(4)89(104(152)153)127-99(147)76(41-60-21-11-8-12-22-60)126-102(150)90(58(5)130)128-100(148)79(46-65-51-108-55-115-65)116-86(135)54-113-85(134)52-114-91(139)74(40-59-19-9-7-10-20-59)120-93(141)73(39-56(2)3)119-97(145)80-47-84(133)112-53-87(136)117-82(43-62-31-35-67(132)36-32-62)103(151)129-38-18-28-83(129)101(149)125-78(45-64-50-111-71-26-16-14-24-69(64)71)96(144)122-77(44-63-49-110-70-25-15-13-23-68(63)70)95(143)124-81(48-88(137)138)98(146)121-75(42-61-29-33-66(131)34-30-61)94(142)118-72(92(140)123-80)27-17-37-109-105(106)107/h7-16,19-26,29-36,49-51,55-58,72-83,89-90,110-111,130-132H,6,17-18,27-28,37-48,52-54H2,1-5H3,(H,108,115)(H,112,133)(H,113,134)(H,114,139)(H,116,135)(H,117,136)(H,118,142)(H,119,145)(H,120,141)(H,121,146)(H,122,144)(H,123,140)(H,124,143)(H,125,149)(H,126,150)(H,127,147)(H,128,148)(H,137,138)(H,152,153)(H4,106,107,109) |
| SMILES | CCC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)C(CC2=CNC=N2)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(C)C)NC(=O)C4CC(=O)NCC(=O)NC(C(=O)N5CCCC5C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)CCCNC(=N)N)CC6=CC=C(C=C6)O)CC(=O)O)CC7=CNC8=CC=CC=C87)CC9=CNC1=CC=CC=C19)CC1=CC=C(C=C1)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kimura, Ken-ichi; Yamazaki, Mai; Sasaki, Noriko; Yamashita, Tetsuro; Negishi, Shigenori; Nakamura, Takemichi; Koshino, Hiroyuki Novel Propeptin Analog, Propeptin-2, Missing Two Amino Acid Residues from the Propeptin C-Terminus Loses Antibiotic Potency Journal of Antibiotics 2007 60 (8) 519-523. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2007.66 | PMID | 17827663 |
