Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000662
PROPERTIES
| NPAID | NPA000662 |
|---|---|
| CLUSTER ID | 225 |
| NODE ID | 141 |
| NAME | 21978C1(D-Asn11) |
| FORMULA | C74H104N18O26 |
| MOLECULAR WEIGHT (Da) | 1661.7460 |
| ACCURATE MASS (Da) | 1660.7369 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | roseosporus |
| InChIKey | YWQYYJJPLVGCSY-WPOLFSPWSA-N |
| InChI | InChI=1S/C74H104N18O26/c1-6-35(2)16-9-7-8-10-22-55(96)84-45(25-39-32-79-43-20-14-12-17-40(39)43)68(111)87-47(28-54(78)95)69(112)89-50(31-61(105)106)71(114)92-63-38(5)118-74(117)51(26-52(93)41-18-11-13-19-42(41)76)90-73(116)62(36(3)24-58(99)100)91-70(113)46(27-53(77)94)85-57(98)33-80-65(108)48(29-59(101)102)86-64(107)37(4)82-67(110)49(30-60(103)104)88-66(109)44(21-15-23-75)83-56(97)34-81-72(63)115/h11-14,17-20,32,35-38,44-51,62-63,79H,6-10,15-16,21-31,33-34,75-76H2,1-5H3,(H2,77,94)(H2,78,95)(H,80,108)(H,81,115)(H,82,110)(H,83,97)(H,84,96)(H,85,98)(H,86,107)(H,87,111)(H,88,109)(H,89,112)(H,90,116)(H,91,113)(H,92,114)(H,99,100)(H,101,102)(H,103,104)(H,105,106)/t35?,36?,37-,38+,44+,45+,46-,47-,48+,49+,50+,51+,62+,63+/m1/s1 |
| SMILES | CCC(C)CCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CC(=O)N)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gu, Jian-Qiao; Nguyen, Kien T.; Gandhi, Chhayal; Rajgarhia, Vineet; Baltz, Richard H.; Brian, Paul; Chu, Min Structural Characterization of Daptomycin Analogues A21978C1-3(d-Asn11) Produced by a Recombinant Streptomyces roseosporus Strain Journal of Natural Products 2007 70 (2) 233-240. | ||
|---|---|---|---|
| DOI | 10.1021/np0605135 | PMID | 17284073 |
