Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001652
PROPERTIES
| NPAID | NPA001652 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Aibellin |
| FORMULA | C94H148N22O26 |
| MOLECULAR WEIGHT (Da) | 2002.3460 |
| ACCURATE MASS (Da) | 2001.0935 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Verticimonosporium |
| ORIGIN SPECIES | ellipticum D1528 |
| InChIKey | WJBOKVHMXGSUBB-UHFFFAOYSA-N |
| InChI | InChI=1S/C94H148N22O26/c1-50(2)67(76(133)113-93(21,22)84(141)114-91(17,18)82(139)104-59(39-42-66(123)124)72(129)103-58(38-41-65(121)122)71(128)101-57(48-96-43-45-117)46-55-32-27-25-28-33-55)106-75(132)62-36-31-44-116(62)85(142)94(23,24)115-83(140)92(19,20)108-64(120)49-97-77(134)86(7,8)112-74(131)61(47-56-34-29-26-30-35-56)105-81(138)90(15,16)111-73(130)60(37-40-63(95)119)102-68(125)51(3)98-79(136)88(11,12)109-70(127)53(5)100-80(137)89(13,14)110-69(126)52(4)99-78(135)87(9,10)107-54(6)118/h25-30,32-35,50-53,57-62,67,96,117H,31,36-49H2,1-24H3,(H2,95,119)(H,97,134)(H,98,136)(H,99,135)(H,100,137)(H,101,128)(H,102,125)(H,103,129)(H,104,139)(H,105,138)(H,106,132)(H,107,118)(H,108,120)(H,109,127)(H,110,126)(H,111,130)(H,112,131)(H,113,133)(H,114,141)(H,115,140)(H,121,122)(H,123,124) |
| SMILES | CC(C)C(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)CNCCO)NC(=O)C2CCCN2C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | KUMAZAWA, SHIGENORI; KANDA, MINA; AOYAMA, HIDEYUKI; UTAGAWA, MASAMI; KONDO, JUN; SAKAMOTO, SEIKO; OHTANI, HIROYUKI; MIKAWA, TAKASHI; CHIGA, ISAO; HAYASE, TETSUO; HINO, TSUNEO; TAKAO, TOSHIFUMI; SHIMONISHI, YASUTSUGU Structural elucidation of aibellin, a new peptide antibiotic with efficiency enhancing activity on rumen fermentation Journal of Antibiotics 1994 47 (10) 1136-1144. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.47.1136 | PMID | 7961164 |
