Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000264
PROPERTIES
| NPAID | NPA000264 |
|---|---|
| CLUSTER ID | 225 |
| NODE ID | 141 |
| NAME | 21978C2(D-Asn11) |
| FORMULA | C75H106N18O26 |
| MOLECULAR WEIGHT (Da) | 1675.7730 |
| ACCURATE MASS (Da) | 1674.7526 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | roseosporus |
| InChIKey | XWXIXPWFHRYZNW-GPWJREGUSA-N |
| InChI | InChI=1S/C75H106N18O26/c1-36(2)17-10-8-6-7-9-11-23-56(97)85-46(26-40-33-80-44-21-15-13-18-41(40)44)69(112)88-48(29-55(79)96)70(113)90-51(32-62(106)107)72(115)93-64-39(5)119-75(118)52(27-53(94)42-19-12-14-20-43(42)77)91-74(117)63(37(3)25-59(100)101)92-71(114)47(28-54(78)95)86-58(99)34-81-66(109)49(30-60(102)103)87-65(108)38(4)83-68(111)50(31-61(104)105)89-67(110)45(22-16-24-76)84-57(98)35-82-73(64)116/h12-15,18-21,33,36-39,45-52,63-64,80H,6-11,16-17,22-32,34-35,76-77H2,1-5H3,(H2,78,95)(H2,79,96)(H,81,109)(H,82,116)(H,83,111)(H,84,98)(H,85,97)(H,86,99)(H,87,108)(H,88,112)(H,89,110)(H,90,113)(H,91,117)(H,92,114)(H,93,115)(H,100,101)(H,102,103)(H,104,105)(H,106,107)/t37?,38-,39+,45+,46+,47-,48-,49+,50+,51+,52+,63+,64+/m1/s1 |
| SMILES | C[C@H]1[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)CC(=O)C2=CC=CC=C2N)C(C)CC(=O)O)CC(=O)N)CC(=O)O)C)CC(=O)O)CCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)CCCCCCCCC(C)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 |
