input word = C00015945

Metabolite InformationStructural formula
Name RP-1776
Formula C75H94N12O20
Mw 1482.67073353
CAS RN 194409-57-9
C_ID C00015945 ,
InChIKey VSYRHTLTZHXGJQ-JRZMZIPPNA-N
InChICode InChI=1S/C75H94N12O20/c1-10-19-43-20-14-15-21-44(43)29-32-54(88)81-57-42(8)107-75(105)60(61(90)39(4)5)85-65(94)51(34-38(2)3)80-71(100)72(101)86-66(95)52(35-47-36-76-50-25-17-16-24-49(47)50)79-70(99)58(62(91)46-27-30-48(106-9)31-28-46)84-67(96)53-26-18-33-87(53)73(102)59(63(92)45-22-12-11-13-23-45)82-55(89)37-77-68(97)56(40(6)74(103)104)83-64(93)41(7)78-69(57)98/h10-17,19-25,27-32,36,38-42,51-53,56-63,72,76,90-92,101H,18,26,33-35,37H2,1-9H3,(H,77,97)(H,78,98)(H,79,99)(H,80,100)(H,81,88)(H,82,89)(H,83,93)(H,84,96)(H,85,94)(H,86,95)(H,103,104)/b19-10-,32-29+/t40-,41+,42+,51-,52+,53-,56+,57-,58-,59-,60+,61-,62+,63+,72-/m0/s1
SMILES N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H]([C@H](OC(=O)[C@H]1[C@@H](O)C(C)C)C)NC(=O)/C=C/c1c(cccc1)/C=C\C)C)[C@H](C)C(=O)O)[C@H](O)c1ccccc1)CCC2)[C@@H](c1ccc(cc1)OC)O)Cc1c2c([nH]c1)cccc2)O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. KY11784 Ref.
BacteriaStreptomycetaceaeStreptomyces sp.KY11784 Ref.
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