input word = C00016101

Metabolite InformationStructural formula
Name WAP 8294A2
Formula C73H111N17O21
Mw 1561.81404373
CAS RN 169148-84-9
C_ID C00016101 ,
InChIKey LEKBQPKGXGFBAN-UKPDBBFUNA-N
InChICode InChI=1S/C73H111N17O21/c1-38(2)17-14-20-43-32-56(94)80-53(37-92)69(106)88-59(61(98)62(77)99)71(108)87-52(36-91)63(100)79-35-57(95)89(7)54(30-41-18-10-9-11-19-41)70(107)86-49(29-39(3)4)66(103)81-46(23-15-27-74)64(101)82-47(25-26-58(96)97)65(102)85-51(33-55(76)93)68(105)84-50(31-42-34-78-45-22-13-12-21-44(42)45)67(104)83-48(24-16-28-75)72(109)90(8)60(40(5)6)73(110)111-43/h9-13,18-19,21-22,34,38-40,43,46-54,59-61,78,91-92,98H,14-17,20,23-33,35-37,74-75H2,1-8H3,(H2,76,93)(H2,77,99)(H,79,100)(H,80,94)(H,81,103)(H,82,101)(H,83,104)(H,84,105)(H,85,102)(H,86,107)(H,87,108)(H,88,106)(H,96,97)/t43-,46-,47+,48-,49+,50-,51-,52+,53+,54-,59-,60+,61-/m1/s1
SMILES N1[C@@H](C(=O)N([C@H](C(=O)O[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C1=O)Cc1c[nH]c2c1cccc2)CC(=O)N)CCC(=O)O)CCCN)CC(C)C)Cc1ccccc1)C)CO)[C@H](C(=O)N)O)CO)CCCC(C)C)C(C)C)C)CCCN
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaXanthomonadaceaeLysobacter sp.WAP-8294(FERM BP-4990) Ref.
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