Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011480
PROPERTIES
| NPAID | NPA011480 |
|---|---|
| CLUSTER ID | 225 |
| NODE ID | 141 |
| NAME | 21978C3(D-Asn11) |
| FORMULA | C76H108N18O26 |
| MOLECULAR WEIGHT (Da) | 1689.8000 |
| ACCURATE MASS (Da) | 1688.7682 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | roseosporus |
| InChIKey | LUPZMLZLNCJXSE-FHWNGLMBSA-N |
| InChI | InChI=1S/C76H108N18O26/c1-6-37(2)18-11-9-7-8-10-12-24-57(98)86-47(27-41-34-81-45-22-16-14-19-42(41)45)70(113)89-49(30-56(80)97)71(114)91-52(33-63(107)108)73(116)94-65-40(5)120-76(119)53(28-54(95)43-20-13-15-21-44(43)78)92-75(118)64(38(3)26-60(101)102)93-72(115)48(29-55(79)96)87-59(100)35-82-67(110)50(31-61(103)104)88-66(109)39(4)84-69(112)51(32-62(105)106)90-68(111)46(23-17-25-77)85-58(99)36-83-74(65)117/h13-16,19-22,34,37-40,46-53,64-65,81H,6-12,17-18,23-33,35-36,77-78H2,1-5H3,(H2,79,96)(H2,80,97)(H,82,110)(H,83,117)(H,84,112)(H,85,99)(H,86,98)(H,87,100)(H,88,109)(H,89,113)(H,90,111)(H,91,114)(H,92,118)(H,93,115)(H,94,116)(H,101,102)(H,103,104)(H,105,106)(H,107,108)/t37?,38?,39-,40+,46+,47+,48-,49-,50+,51+,52+,53+,64+,65+/m1/s1 |
| SMILES | CCC(C)CCCCCCCCC(=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 |
