Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012331
PROPERTIES
| NPAID | NPA012331 |
|---|---|
| CLUSTER ID | 1348 |
| NODE ID | 141 |
| NAME | Maltacine D1c |
| FORMULA | C69H98N14O22 |
| MOLECULAR WEIGHT (Da) | 1475.6190 |
| ACCURATE MASS (Da) | 1474.6980 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. SNA-60-367 |
| InChIKey | ILXMRCOUNDMYCI-NKIAMLMBSA-N |
| InChI | InChI=1S/C69H98N14O22/c1-5-35(2)56-69(104)105-34-44(89)32-52(79-65(100)49(29-38-11-17-41(86)18-12-38)77-61(96)47(23-25-54(71)90)76-59(94)45-10-8-28-72-45)63(98)73-36(3)58(93)74-48(24-26-55(91)92)62(97)83-57(37(4)85)68(103)80-50(30-39-13-19-42(87)20-14-39)64(99)75-46(9-6-7-27-70)60(95)81-53(33-84)67(102)78-51(66(101)82-56)31-40-15-21-43(88)22-16-40/h11-22,35-37,44-53,56-57,72,84-89H,5-10,23-34,70H2,1-4H3,(H2,71,90)(H,73,98)(H,74,93)(H,75,99)(H,76,94)(H,77,96)(H,78,102)(H,79,100)(H,80,103)(H,81,95)(H,82,101)(H,83,97)(H,91,92)/t35?,36?,37?,44?,45-,46?,47?,48?,49?,50?,51?,52?,53?,56?,57?/m0/s1 |
| SMILES | CCC(C)C1C(=O)OCC(CC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CO)CCCCN)CC3=CC=C(C=C3)O)C(C)O)CCC(=O)O)C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CCC(=O)N)NC(=O)[C@@H]5CCCN5)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hagelin, Gunnar Structure investigation of Maltacine D1a, D1b and D1c-cyclic peptide lactones of the Maltacine complex from Bacillus subtilis Journal of Mass Spectrometry 2005 40 (10) 1287-1299. | ||
|---|---|---|---|
| DOI | 10.1002/jms.897 | PMID | 16178056 |
