Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA004540
PROPERTIES
NPAID | NPA004540 |
---|---|
CLUSTER ID | 2355 |
NODE ID | 1863 |
NAME | Primycin |
FORMULA | C55H103N3O17 |
MOLECULAR WEIGHT (Da) | 1078.4330 |
ACCURATE MASS (Da) | 1077.7287 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Actinomyces |
ORIGIN SPECIES | sp. |
InChIKey | NYWSLZMTZNODJM-YZTBHFOCSA-N |
InChI | InChI=1S/C55H103N3O17/c1-7-8-19-43-49(69)33(3)22-23-38(61)17-11-16-37(60)18-12-20-44(66)34(4)26-47(73-54-51(71)50(70)48(31-59)74-54)46(68)30-42(65)29-41(64)28-40(63)27-39(62)15-10-9-14-32(2)25-35(5)52(75-53(43)72)36(6)45(67)21-13-24-58-55(56)57/h25-26,33,35-52,54,59-71H,7-24,27-31H2,1-6H3,(H4,56,57,58)/t33?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48-,49?,50-,51+,52?,54+/m1/s1 |
SMILES | CCCCC1C(C(CCC(CCCC(CCCC(C(=CC(C(CC(CC(CC(CC(CCCCC(=CC(C(OC1=O)C(C)C(CCCN=C(N)N)O)C)C)O)O)O)O)O)O[C@@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)C)O)O)O)C)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Aberhart, J; Fehr, T; Jain, RC; De Mayo, P; Motl, O; Baczynskj, L; Gracey, DEF; MacLean, DB; Szilágyi, I Primycin Journal of the American Chemical Society 1970 92 (19) 5816-5817. | ||
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DOI | 10.1021/ja00722a088 | PMID | 5458748 |