input word = C00014960

Metabolite InformationStructural formula
Name SNA 60-367-4
Formula C73H112N12O20
Mw 1476.81158411
CAS RN 193738-69-1
C_ID C00014960 ,
InChIKey ZKWWUFCVOMZIEY-UHFFFAOYNA-N
InChICode InChI=1S/C73H112N12O20/c1-7-43(5)62-73(104)105-49-29-25-46(26-30-49)40-56(81-64(95)51(21-17-37-74)78-65(96)52(32-35-60(91)92)76-59(90)41-48(88)20-16-14-12-10-9-11-13-15-19-42(3)4)69(100)84-63(44(6)86)71(102)80-54(33-36-61(93)94)66(97)77-50(8-2)72(103)85-38-18-22-57(85)70(101)79-53(31-34-58(75)89)67(98)82-55(68(99)83-62)39-45-23-27-47(87)28-24-45/h23-30,42-44,48,50-57,62-63,86-88H,7-22,31-41,74H2,1-6H3,(H2,75,89)(H,76,90)(H,77,97)(H,78,96)(H,79,101)(H,80,102)(H,81,95)(H,82,98)(H,83,99)(H,84,100)(H,91,92)(H,93,94)/t43-,44-,48-,50+,51+,52+,53+,54+,55-,56-,57+,62+,63-/m0/s1
SMILES [C@H]12N(C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(OC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CCC(=O)N)Cc1ccc(cc1)O)[C@@H](C)CC)cc3)NC(=O)[C@@H](CCCN)NC(=O)[C@@H](CCC(=O)O)NC(=O)C[C@@H](O)CCCCCCCCCCC(C)C)[C@H](C)O)CCC(=O)O)CC)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus sp. SNA-60-367 Ref.
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