Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020691
PROPERTIES
| NPAID | NPA020691 |
|---|---|
| CLUSTER ID | 6501 |
| NODE ID | 141 |
| NAME | Janthinocin C |
| FORMULA | C57H82N12O15 |
| MOLECULAR WEIGHT (Da) | 1175.3520 |
| ACCURATE MASS (Da) | 1174.6023 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Janthinobacterium |
| ORIGIN SPECIES | lividum |
| InChIKey | BRHKGQIVZZCHPV-YUAYQWLVSA-N |
| InChI | InChI=1S/C57H82N12O15/c1-9-30(7)42(59)53(79)69-45-47(29(5)6)84-57(83)39(23-32-17-12-11-13-18-32)64-49(75)37(21-16-22-58)62-50(76)38(24-33-25-60-36-20-15-14-19-34(33)36)63-51(77)40(26-70)65-48(74)35(10-2)61-55(81)44(46(73)28(3)4)68-52(78)41(27-71)66-54(80)43(31(8)72)67-56(45)82/h10-15,17-20,24-25,28-31,37,39-47,60,70-73H,9,16,21-23,26-27,58-59H2,1-8H3,(H,61,81)(H,62,76)(H,63,77)(H,64,75)(H,65,74)(H,66,80)(H,67,82)(H,68,78)(H,69,79)/b35-10+,38-24-/t30-,31+,37-,39+,40-,41+,42+,43-,44-,45-,46-,47+/m0/s1 |
| SMILES | CC[C@H](C)[C@H](C(=O)N[C@H]1[C@H](OC(=O)[C@H](NC(=O)[C@@H](NC(=O)/C(=C/C2=CNC3=CC=CC=C32)/NC(=O)[C@@H](NC(=O)/C(=C\C)/NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)[C@@H](C)O)CO)[C@H](C(C)C)O)CO)CCCN)CC4=CC=CC=C4)C(C)C)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Johnson JH; Tymiak AA; Bolgar MS Janthinocins A, B and C, novel peptide lactone antibiotics produced by Janthinobacterium lividum. II. Structure elucidation Journal of Antibiotics 1990 43 (8) 920-930. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.43.920 | PMID | 2211359 |
