input word = C00014967

Metabolite InformationStructural formula
Name SNA 60-367-14
Formula C72H110N12O19
Mw 1446.80101942
CAS RN 193738-76-0
C_ID C00014967 ,
InChIKey AKORZGHZNSWPMF-UHFFFAOYNA-N
InChICode InChI=1S/C72H110N12O19/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-24-58(88)76-51(34-37-59(89)90)65(95)77-50(22-20-39-73)64(94)80-55-42-47-27-31-49(32-28-47)103-72(102)61(43(3)7-2)82-67(97)54(41-46-25-29-48(86)30-26-46)81-66(96)52(33-36-57(74)87)78-69(99)56-23-21-40-84(56)71(101)44(4)75-63(93)53(35-38-60(91)92)79-70(100)62(45(5)85)83-68(55)98/h25-32,43-45,50-56,61-62,85-86H,6-24,33-42,73H2,1-5H3,(H2,74,87)(H,75,93)(H,76,88)(H,77,95)(H,78,99)(H,79,100)(H,80,94)(H,81,96)(H,82,97)(H,83,98)(H,89,90)(H,91,92)/t43-,44-,45-,50-,51-,52-,53-,54+,55+,56-,61+,62-/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)CCCCCCCCCCCCCCC)[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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