Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033226
PROPERTIES
| NPAID | NPA033226 |
|---|---|
| CLUSTER ID | 9576 |
| NODE ID | 141 |
| NAME | Andalusicin A |
| FORMULA | C107H147N27O26S |
| MOLECULAR WEIGHT (Da) | 2259.5830 |
| ACCURATE MASS (Da) | 2258.0731 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | thuringiensis sv. andalousiensis NRRL B23139 |
| InChIKey | HNFCMZRTSDWBCX-FFVXNQHYSA-N |
| InChI | InChI=1S/C107H147N27O26S/c1-22-53(16)83(102(155)123-62(25-4)86(139)114-56(19)104(157)134(20)21)131-93(146)68(31-10)119-89(142)64(27-6)117-90(143)65(28-7)120-95(148)72(41-57-46-110-70-39-35-33-37-59(57)70)125-91(144)66(29-8)122-101(154)82(52(14)15)130-92(145)67(30-9)118-88(141)63(26-5)116-87(140)61(24-3)115-80(137)48-112-100(153)81(51(12)13)129-98(151)73(42-58-47-111-71-40-36-34-38-60(58)71)124-85(138)55(18)113-76-45-107(133-103(156)84(54(17)23-2)132-94(147)69(32-11)121-99(76)152)50-161-49-77(105(158)159)127-96(149)74(43-78(108)135)126-97(150)75(44-79(109)136)128-106(107)160/h24-40,46-47,51-56,72-77,81-84,110-111,113H,22-23,41-45,48-50H2,1-21H3,(H2,108,135)(H2,109,136)(H,112,153)(H,114,139)(H,115,137)(H,116,140)(H,117,143)(H,118,141)(H,119,142)(H,120,148)(H,121,152)(H,122,154)(H,123,155)(H,124,138)(H,125,144)(H,126,150)(H,127,149)(H,128,160)(H,129,151)(H,130,145)(H,131,146)(H,132,147)(H,133,156)(H,158,159)/b61-24+,62-25+,63-26-,64-27-,65-28+,66-29+,67-30+,68-31+,69-32- |
| SMILES | C/C=C(\NC(=O)/C(=C\C)NC(=O)CNC(=O)C(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(C)NC1CC2(CSCC(C(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC2=O)NC(=O)C(C(C)CC)NC(=O)/C(=C/C)NC1=O)C(C)C)C(=O)N/C(=C/C)C(=O)NC(C(=O)N/C(=C/C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N/C(=C/C)C(=O)N/C(=C\C)C(=O)N/C(=C/C)C(=O)NC(C(=O)N/C(=C/C)C(=O)NC(C)C(=O)N(C)C)C(C)CC)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Grigoreva, Anastasiia; Andreeva, Julia; Bikmetov, Dmitry; Rusanova, Anastasiia; Serebryakova, Marina; Garcia, Andrea Hernandez; Slonova, Darya; Nair, Satish K.; Lippens, Guy; Severinov, Konstantin; Dubiley, Svetlana Identification and characterization of andalusicin: N-terminally dimethylated class III lantibiotic from Bacillus thuringiensis sv. andalousiensis iScience 2021 24 (5) 102480. | ||
|---|---|---|---|
| DOI | 10.1016/j.isci.2021.102480 | PMID | 34113822 |
