input word = C00018602

Metabolite InformationStructural formula
Name Empedopeptin
BMY 28117
Bu 2517
Formula C49H79N11O19
Mw 1125.55536943
CAS RN 87551-98-2
C_ID C00018602 ,
InChIKey WSCOCOSDPASNLN-UHFFFAOYNA-N
InChICode InChI=1S/C49H79N11O19/c1-2-3-4-5-6-7-8-9-10-14-26-23-33(64)58-20-12-16-30(58)40(68)54-28(24-61)44(72)59-21-13-17-31(59)41(69)53-27(15-11-19-52-49(50)51)39(67)56-34(37(65)46(74)75)42(70)55-29(25-62)45(73)60-22-18-32(63)36(60)43(71)57-35(48(78)79-26)38(66)47(76)77/h26-32,34-38,61-63,65-66H,2-25H2,1H3,(H,53,69)(H,54,68)(H,55,70)(H,56,67)(H,57,71)(H,74,75)(H,76,77)(H4,50,51,52)/t26-,27+,28+,29-,30-,31+,32+,34+,35+,36-,37-,38-/m0/s1
SMILES N12[C@H](C(=O)N[C@@H](C(=O)N3[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N4[C@H](C(=O)N[C@@H](C(=O)O[C@H](CC1=O)CCCCCCCCCCC)[C@H](O)C(=O)O)[C@@H](CC4)O)CO)[C@H](O)C(=O)O)CCCNC(=N)N)CCC3)CO)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaFlavobacteriaceaeEmpedobacter haloabium nov. sp. ATCC 31962 Ref.
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