input word = C00016200

Metabolite InformationStructural formula
Name Quinoxapeptin A
Formula C68H84N16O22
Mw 1476.59460849
CAS RN 175484-07-8
C_ID C00016200 ,
InChIKey UQBUPZAJDRSUTD-RYALNNDINA-N
InChICode InChI=1S/C68H84N16O22/c1-33-21-37(33)63(95)105-47-17-19-73-83-53(47)59(91)71-27-49(85)79(7)29-51(87)81(9)56(68(5,6)100)66(98)104-32-46(78-58(90)44-26-70-42-24-36(102-12)14-16-40(42)76-44)62(94)84-54(48(18-20-74-84)106-64(96)38-22-34(38)2)60(92)72-28-50(86)80(8)30-52(88)82(10)55(67(3,4)99)65(97)103-31-45(61(83)93)77-57(89)43-25-69-41-23-35(101-11)13-15-39(41)75-43/h13-16,19-20,23-26,33-34,37-38,45-48,53-56,99-100H,17-18,21-22,27-32H2,1-12H3,(H,71,91)(H,72,92)(H,77,89)(H,78,90)/t33-,34-,37-,38-,45+,46+,47-,48-,53-,54-,55+,56+/m0/s1
SMILES [C@@H]12N(C(=O)[C@@H](COC(=O)[C@@H](N(C(=O)CN(C(=O)CNC(=O)[C@H]3N(C(=O)[C@@H](COC(=O)[C@@H](N(C(=O)CN(C(=O)CNC1=O)C)C)C(C)(C)O)NC(=O)c1cnc4c(n1)ccc(c4)OC)N=CC[C@@H]3OC(=O)[C@@H]1[C@H](C1)C)C)C)C(C)(C)O)NC(=O)c1nc3c(nc1)cc(cc3)OC)N=CC[C@@H]2OC(=O)[C@@H]1[C@H](C1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
--Actinomycete sp. MA7095 (ATCC 55599) Ref.
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