| Name |
Aibellin |
| Formula |
C94H148N22O26 |
| Mw |
2001.09351306 |
| CAS RN |
151036-29-2 |
| C_ID |
C00016677
, 
|
| InChIKey |
WJBOKVHMXGSUBB-UHFFFAOYNA-N |
| InChICode |
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)/t51-,52-,53-,57-,58-,59+,60+,61-,62+,67+/m1/s1 |
| SMILES |
[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)[C@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(NC(=O)[C@H](NC(=O)C(NC(=O)[C@H](NC(=O)C(NC(=O)C)(C)C)C)(C)C)C)(C)C)C)CCC(=O)N)(C)C)Cc2ccccc2)(C)C)(C)C)(C)C)CCC1)C(C)C)(C)C)(C)C)CCC(=O)O)CCC(=O)O)(Cc1ccccc1)CNCCO |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Lys L-Arg L-Asp |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Verticimonosporium ellipticum D1528 | Ref. |
|
|
zoom in
| Organism | Verticimonosporium ellipticum D1528 |
|---|
| Reference | Kumazawa,J.Antibiotics 47,(1994),1136 |
|---|
|
