Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002236
PROPERTIES
| NPAID | NPA002236 |
|---|---|
| CLUSTER ID | 1348 |
| NODE ID | 141 |
| NAME | Maltacine B1a |
| FORMULA | C72H104N14O21 |
| MOLECULAR WEIGHT (Da) | 1501.7010 |
| ACCURATE MASS (Da) | 1500.7500 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. SNA-60-367 |
| InChIKey | VRVZMVNJCUIYQB-UHFFFAOYSA-N |
| InChI | InChI=1S/C72H104N14O21/c1-5-39(2)59-72(106)107-35-9-7-13-49(79-68(102)54(36-42-16-22-45(89)23-17-42)82-66(100)52(28-30-57(74)92)81-62(96)48-15-11-33-75-48)63(97)76-40(3)61(95)77-53(29-31-58(93)94)67(101)86-60(41(4)88)71(105)84-55(37-43-18-24-46(90)25-19-43)69(103)80-51(14-10-32-73)64(98)78-50(12-6-8-34-87)65(99)83-56(70(104)85-59)38-44-20-26-47(91)27-21-44/h16-27,39-41,48-56,59-60,75,87-91H,5-15,28-38,73H2,1-4H3,(H2,74,92)(H,76,97)(H,77,95)(H,78,98)(H,79,102)(H,80,103)(H,81,96)(H,82,100)(H,83,99)(H,84,105)(H,85,104)(H,86,101)(H,93,94) |
| SMILES | CCC(C)C1C(=O)OCCCCC(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)CCCCO)CCCN)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)C5CCCN5 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hagelin, Gunnar Structure investigation of maltacine B1a, B1b, B2a and B2b: cyclic peptide lactones of the maltacine complex from Bacillus subtilis Journal of Mass Spectrometry 2005 40 (4) 527-538. | ||
|---|---|---|---|
| DOI | 10.1002/jms.830 | PMID | 15724270 |
