input word = C00017703

Metabolite InformationStructural formula
Name Estatin A
Formula C18H25N5O5
Mw 391.18556895
CAS RN 106455-06-5
C_ID C00017703 ,
InChIKey CDANUSUTFSNLOG-NPHYKYFRNA-N
InChICode InChI=1S/C18H25N5O5/c19-18(20)22-9-5-4-8-21-15(24)12(10-11-6-2-1-3-7-11)23-16(25)13-14(28-13)17(26)27/h1-3,6-7,12-14H,4-5,8-10H2,(H,21,24)(H,23,25)(H,26,27)(H4,19,20,22)/t12-,13-,14-/m0/s1
SMILES N=C(N)NCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1OC1C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Lys L-Asp
Organism
Kingdom Family Species Reference
--Myceliophthora thermophila M4323 Ref.
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