input word = C00015360

Metabolite InformationStructural formula
Name Sch 20562
Formula C63H96N12O21
Mw 1356.68129822
CAS RN 69856-27-5
C_ID C00015360 ,
InChIKey JZKVLKBVTSOCID-CVGPOQNTNA-N
InChICode InChI=1S/C63H96N12O21/c1-8-11-12-13-14-15-16-17-18-19-39(79)28-47(81)68-40(9-2)57(88)74-50-34(5)94-62(93)44(27-37-29-65-32-67-37)72-61(92)51(35(6)95-63-54(85)53(84)52(83)45(31-76)96-63)75(7)48(82)30-66-55(86)42(24-25-46(64)80)70-56(87)41(10-3)69-58(89)43(26-36-20-22-38(78)23-21-36)71-59(90)49(33(4)77)73-60(50)91/h9-10,20-23,29,32-35,39,42-45,49-54,63,76-79,83-85H,8,11-19,24-28,30-31H2,1-7H3,(H2,64,80)(H,65,67)(H,66,86)(H,68,81)(H,69,89)(H,70,87)(H,71,90)(H,72,92)(H,73,91)(H,74,88)/b40-9+,41-10+/t33-,34-,35+,39-,42-,43-,44+,45-,49-,50+,51+,52+,53+,54+,63+/m1/s1
SMILES N1[C@@H](C(=O)N[C@@H](C(=O)N/C(=C\C)/C(=O)N[C@@H](C(=O)NCC(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C1=O)NC(=O)/C(=C\C)/NC(=O)C[C@H](O)CCCCCCCCCCC)C)Cc1cnc[nH]1)[C@@H](O[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)C)CCC(=O)N)Cc1ccc(cc1)O)[C@@H](C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
BacteriaAeromonadaceaeAeromonas sp. W-10 NRRL B11053 Ref.
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