Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009222
PROPERTIES
| NPAID | NPA009222 |
|---|---|
| CLUSTER ID | 3863 |
| NODE ID | 572 |
| NAME | Aculeximycin |
| FORMULA | C81H144N2O33 |
| MOLECULAR WEIGHT (Da) | 1674.0240 |
| ACCURATE MASS (Da) | 1672.9651 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptosporangium |
| ORIGIN SPECIES | albidum |
| InChIKey | VJKZKLDZOAFAEE-QIESNYARSA-N |
| InChI | InChI=1S/C81H144N2O33/c1-15-18-55(109-61-33-80(14,83)74(101)44(13)106-61)39(8)63(92)45(16-2)22-25-51(87)38(7)56-26-20-36(5)62(91)40(9)57(111-78-71(100)69(98)67(96)59(34-84)113-78)31-53(89)37(6)52(88)28-49-29-54(90)75(102)81(104,116-49)32-58(35(4)19-23-47(85)27-48(86)24-21-46(17-3)76(103)110-56)112-79-73(115-77-70(99)68(97)65(94)42(11)107-77)72(66(95)43(12)108-79)114-60-30-50(82)64(93)41(10)105-60/h20-22,25,35,37-45,47-75,77-79,84-102,104H,15-19,23-24,26-34,82-83H2,1-14H3/b25-22+,36-20+,46-21+/t35?,37?,38?,39?,40?,41-,42-,43-,44+,45?,47?,48?,49?,50-,51?,52?,53?,54?,55?,56?,57?,58?,59-,60+,61+,62?,63?,64-,65-,66-,67-,68+,69+,70-,71+,72+,73-,74-,75?,77+,78-,79+,80+,81?/m1/s1 |
| SMILES | CCCC(C(C)C(C(CC)/C=C/C(C(C)C1C/C=C(/C(C(C(CC(C(C(CC2CC(C(C(O2)(CC(C(CCC(CC(C/C=C(/C(=O)O1)\CC)O)O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)N)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C)O)O)O)O)O)O)O)C)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)\C)O)O)O[C@H]7C[C@]([C@@H]([C@@H](O7)C)O)(C)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Murata; Suzuki; Tabayashi; Hattori; Takada; Harada; Ikemoto; Shibuya; Haneishi; Torikata; Itezono; Nakayama Structural elucidation of aculeximycin. III. Planar structure of aculeximycin, belonging to a new class of macrolide antibiotics Journal of Antibiotics 1995 48 (8) 838-849. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.48.838 | PMID | 7592030 |
