input word = C00015442

Metabolite InformationStructural formula
Name Tylopeptin B
Formula C72H118N18O19
Mw 1538.88206372
CAS RN 256370-96-4
C_ID C00015442 ,
InChIKey KAKBBMJKOKAIHQ-CZVVAXBUNA-N
InChICode InChI=1S/C72H118N18O19/c1-35(2)29-43(33-91)80-58(100)47(26-28-52(74)95)83-65(107)70(15,16)87-60(102)48(30-36(3)4)82-55(97)39(8)77-63(105)68(11,12)88-61(103)50(34-92)84-66(108)69(13,14)86-56(98)40(9)76-57(99)46(25-27-51(73)94)81-54(96)38(7)78-64(106)71(17,18)90-67(109)72(19,20)89-62(104)53(37(5)6)85-59(101)49(79-41(10)93)31-42-32-75-45-24-22-21-23-44(42)45/h21-24,32,35-40,43,46-50,53,75,91-92H,25-31,33-34H2,1-20H3,(H2,73,94)(H2,74,95)(H,76,99)(H,77,105)(H,78,106)(H,79,93)(H,80,100)(H,81,96)(H,82,97)(H,83,107)(H,84,108)(H,85,101)(H,86,98)(H,87,102)(H,88,103)(H,89,104)(H,90,109)/t38-,39-,40-,43-,46-,47-,48-,49-,50-,53-/m0/s1
SMILES C(=O)(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)CO)CCC(=O)N)C)(C)C)CO)(C)C)C)CCC(=O)N)C)C(NC(=O)C(NC(=O)[C@@H](NC(=O)[C@H](Cc1c2ccccc2[nH]c1)NC(=O)C)C(C)C)(C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
FungiBoletaceaeTylopilus neofelleus Ref.
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OrganismTylopilus neofelleus
ReferenceLee,J.Antibiotics 52,(1999),998