input word = C00014970

Metabolite InformationStructural formula
Name SNA 60-367-19
Formula C73H112N12O19
Mw 1460.81666949
CAS RN 193738-79-3
C_ID C00014970 ,
InChIKey OGGQFTVAOXLPEC-UHFFFAOYNA-N
InChICode InChI=1S/C73H112N12O19/c1-7-44(4)62-73(103)104-50-31-27-48(28-32-50)42-56(81-65(95)51(22-19-39-74)78-66(96)52(34-37-60(90)91)77-59(89)24-18-16-14-12-10-8-9-11-13-15-17-21-43(2)3)69(99)84-63(46(6)86)71(101)80-54(35-38-61(92)93)64(94)76-45(5)72(102)85-40-20-23-57(85)70(100)79-53(33-36-58(75)88)67(97)82-55(68(98)83-62)41-47-25-29-49(87)30-26-47/h25-32,43-46,51-57,62-63,86-87H,7-24,33-42,74H2,1-6H3,(H2,75,88)(H,76,94)(H,77,89)(H,78,96)(H,79,100)(H,80,101)(H,81,95)(H,82,97)(H,83,98)(H,84,99)(H,90,91)(H,92,93)/t44-,45-,46-,51+,52-,53+,54+,55+,56-,57-,62-,63+/m1/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)CCCCCCCCCCCCCC(C)C)[C@@H](C)O)CCC(=O)O)C)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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