input word = C00028824

Metabolite InformationStructural formula
Name Phakellistatin-5
Formula C35H52N8O8S
Mw 744.36288143
CAS RN 159850-99-4
C_ID C00028824 ,
InChIKey MJIXQFVJUHBNPL-HJWHKXFSNA-N
InChICode InChI=1S/C35H52N8O8S/c1-6-19(2)28-35(51)43-15-10-13-26(43)34(50)41-24(17-22-11-8-7-9-12-22)33(49)40-25(18-27(36)44)32(48)38-20(3)29(45)39-23(14-16-52-5)31(47)37-21(4)30(46)42-28/h7-9,11-12,19-21,23-26,28H,6,10,13-18H2,1-5H3,(H2,36,44)(H,37,47)(H,38,48)(H,39,45)(H,40,49)(H,41,50)(H,42,46)/t19-,20-,21-,23-,24-,25-,26-,28+/m0/s1
SMILES [C@@H]1(C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C)CC(=O)N)Cc1ccccc1)CCC2)[C@H](CC)C)C)CCSC
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaePhakellia costada Ref.
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