input word = C00028829

Metabolite InformationStructural formula
Name Pholipeptin
Formula C64H111N11O20
Mw 1353.80068507
CAS RN 169626-46-4
C_ID C00028829 ,
InChIKey YICOYZRDBWTZHR-AQDGKHOQNA-N
InChICode InChI=1S/C64H111N11O20/c1-15-22-23-24-25-26-39(78)27-44(79)69-47(32(8)16-2)57(86)65-40(28-45(80)81)54(83)75-53-38(14)95-46(82)29-41(64(93)94)66-58(87)49(34(10)18-4)72-61(90)51(36(12)20-6)71-56(85)43(31-77)67-59(88)48(33(9)17-3)70-55(84)42(30-76)68-60(89)50(35(11)19-5)73-62(91)52(37(13)21-7)74-63(53)92/h32-43,47-53,76-78H,15-31H2,1-14H3,(H,65,86)(H,66,87)(H,67,88)(H,68,89)(H,69,79)(H,70,84)(H,71,85)(H,72,90)(H,73,91)(H,74,92)(H,75,83)(H,80,81)(H,93,94)/t32-,33-,34-,35-,36+,37+,38+,39+,40-,41+,42+,43+,47+,48+,49+,50+,51+,52+,53-/m0/s1
SMILES [C@H]1(C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CC(=O)O[C@@H]([C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)CO)[C@H](CC)C)[C@@H](CC)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)C[C@@H](CCCCCCC)O)C)C(=O)O)[C@H](CC)C)[C@H](C)CC)CO)[C@@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas fluorescens BMJ279-76FI Ref.
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