Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000074
PROPERTIES
| NPAID | NPA000074 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 26 |
| NAME | Laxaphycin B |
| FORMULA | C65H114N14O19 |
| MOLECULAR WEIGHT (Da) | 1395.7060 |
| ACCURATE MASS (Da) | 1394.8385 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | majuscula |
| InChIKey | URYPPVMQQUERGK-IRBJMCNESA-N |
| InChI | InChI=1S/C65H114N14O19/c1-16-18-19-20-21-23-38-29-43(83)72-44(31(5)6)58(91)76-47(51(84)32(7)8)60(93)68-35(12)55(88)75-48(52(85)33(9)10)61(94)70-39(25-26-42(66)82)64(97)78(15)50(34(11)17-2)63(96)77-49(53(86)54(67)87)62(95)74-46(37(14)81)65(98)79-27-22-24-41(79)57(90)71-40(28-30(3)4)56(89)73-45(36(13)80)59(92)69-38/h30-41,44-53,80-81,84-86H,16-29H2,1-15H3,(H2,66,82)(H2,67,87)(H,68,93)(H,69,92)(H,70,94)(H,71,90)(H,72,83)(H,73,89)(H,74,95)(H,75,88)(H,76,91)(H,77,96)/t34-,35?,36?,37+,38+,39?,40?,41-,44-,45-,46-,47-,48+,49+,50?,51-,52?,53+/m0/s1 |
| SMILES | CCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@@H](C(=O)NC(C(=O)N(C(C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NC(C(=O)N[C@H](C(=O)N1)C(C)O)CC(C)C)[C@@H](C)O)[C@H](C(=O)N)O)[C@@H](C)CC)C)CCC(=O)N)C(C(C)C)O)C)[C@H](C(C)C)O)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bonnard, Isabelle; Rolland, Marc; Salmon, Jean-Marie; Debiton, Eric; Barthomeuf, Chantal; Banaigs, Bernard Total structure and inhibition of tumor cell proliferation of laxaphycins Journal of Medicinal Chemistry 2007 50 (6) 1266-1279. | ||
|---|---|---|---|
| DOI | 10.1021/jm061307x | PMID | 17323939 |
