Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002451
PROPERTIES
| NPAID | NPA002451 |
|---|---|
| CLUSTER ID | 1348 |
| NODE ID | 141 |
| NAME | Maltacine D1a |
| FORMULA | C67H94N14O22 |
| MOLECULAR WEIGHT (Da) | 1447.5650 |
| ACCURATE MASS (Da) | 1446.6667 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. SNA-60-367 |
| InChIKey | NVQSOBYWDGPCAF-LMMNZZMASA-N |
| InChI | InChI=1S/C67H94N14O22/c1-5-33(2)53-67(102)103-32-42(86)31-50(76-62(97)47(28-36-10-16-39(83)17-11-36)75-57(92)45(22-24-51(69)87)74-56(91)43-9-7-27-70-43)60(95)71-34(3)55(90)72-46(23-25-52(88)89)58(93)80-54(35(4)82)64(99)77-48(29-37-12-18-40(84)19-13-37)61(96)73-44(8-6-26-68)59(94)81-66(101)65(100)78-49(63(98)79-53)30-38-14-20-41(85)21-15-38/h10-21,33-35,42-50,53-54,66,70,82-86,101H,5-9,22-32,68H2,1-4H3,(H2,69,87)(H,71,95)(H,72,90)(H,73,96)(H,74,91)(H,75,92)(H,76,97)(H,77,99)(H,78,100)(H,79,98)(H,80,93)(H,81,94)(H,88,89)/t33?,34?,35?,42?,43-,44?,45?,46?,47?,48?,49?,50?,53?,54?,66?/m0/s1 |
| SMILES | CCC(C)C1NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(O)NC(=O)C(CCCN)NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(C)NC(=O)C(CC(O)COC1=O)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(C)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 |
