Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011452
PROPERTIES
| NPAID | NPA011452 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | Tensin |
| FORMULA | C67H116N12O20 |
| MOLECULAR WEIGHT (Da) | 1409.7290 |
| ACCURATE MASS (Da) | 1408.8429 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | fluorescens strain 96.578 |
| InChIKey | XUHRVZXFBWDCFB-QRTDKPMLSA-N |
| InChI | InChI=1S/C67H116N12O20/c1-15-17-18-19-20-21-41(81)31-52(83)69-44(26-34(3)4)58(89)75-49(32-54(86)87)63(94)79-56-40(14)99-67(98)43(23-25-53(84)85)71-65(96)55(39(13)16-2)78-62(93)48(30-38(11)12)72-57(88)42(22-24-51(68)82)70-59(90)45(27-35(5)6)74-64(95)50(33-80)77-61(92)46(28-36(7)8)73-60(91)47(29-37(9)10)76-66(56)97/h34-50,55-56,80-81H,15-33H2,1-14H3,(H2,68,82)(H,69,83)(H,70,90)(H,71,96)(H,72,88)(H,73,91)(H,74,95)(H,75,89)(H,76,97)(H,77,92)(H,78,93)(H,79,94)(H,84,85)(H,86,87)/t39-,40+,41-,42+,43-,44+,45-,46+,47+,48-,49+,50+,55-,56+/m0/s1 |
| SMILES | CCCCCCC[C@H](O)CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)O[C@@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Henriksen, Anette; Anthoni, Uffe; Nielsen, Tommy H.; Sørensen, Jan; Christophersen, Carsten; Gajhede, Michael Cyclic lipoundecapeptide tensin from Pseudomonas fluorescens strain 96.578 Acta Crystallographica Section C: Crystal Structure Communications 2000 56 (1) 113-115. | ||
|---|---|---|---|
| DOI | 10.1107/s0108270199013414 | PMID | 10710691 |
