input word = C00015143

Metabolite InformationStructural formula
Name Complestatin A
Neuroprotectin A
Formula C61H45Cl6N7O16
Mw 1341.1053947
CAS RN 354986-33-7
C_ID C00015143 ,
InChIKey ZFUGTFLRENMBAG-SWAFQLESNA-N
InChICode InChI=1S/C61H45Cl6N7O16/c1-74-43(56(83)73-48(61(88)89)24-4-7-30(75)8-5-24)12-23-2-9-31(10-3-23)90-44-21-26-13-33(50(44)77)25-6-11-32-34(54(81)68-41(32)20-25)22-42(69-59(86)49(76)29-18-39(66)53(80)40(67)19-29)55(82)70-46(27-14-35(62)51(78)36(63)15-27)57(84)71-45(26)58(85)72-47(60(74)87)28-16-37(64)52(79)38(65)17-28/h2-11,13-21,34,42-43,45-48,75,77-80H,12,22H2,1H3,(H,68,81)(H,69,86)(H,70,82)(H,71,84)(H,72,85)(H,73,83)(H,88,89)/t34-,42+,43-,45+,46+,47+,48+/m0/s1
SMILES c1c2ccc(c1)Oc1cc3cc(c1O)c1ccc4c(c1)NC(=O)[C@H]4C[C@H](C(=O)N[C@@H](C(=O)N[C@H]3C(=O)N[C@@H](C(=O)N([C@@H](C2)C(=O)N[C@H](c1ccc(cc1)O)C(=O)O)C)c1cc(c(c(c1)Cl)O)Cl)c1cc(c(c(c1)Cl)O)Cl)NC(=O)C(=O)c1cc(c(c(c1)Cl)O)Cl
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. Q27107 Ref.
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