input word = C00018176

Metabolite InformationStructural formula
Name Deltamycin A1
Formula C39H61NO16
Mw 799.39903491
CAS RN 58880-22-1
C_ID C00018176 ,
InChIKey BSLHJKFVBDZBEO-VAWYXSNFNA-N
InChICode InChI=1S/C39H61NO16/c1-19-15-25(13-14-41)35(36(48-10)29(52-23(5)42)17-30(45)49-20(2)16-28-27(54-28)12-11-26(19)44)56-38-33(46)32(40(8)9)34(21(3)51-38)55-31-18-39(7,47)37(22(4)50-31)53-24(6)43/h11-12,14,19-22,25,27-29,31-38,46-47H,13,15-18H2,1-10H3/b12-11+/t19-,20-,21-,22+,25+,27+,28-,29+,31+,32-,33?,34-,35+,36-,37-,38+,39+/m1/s1
SMILES O1[C@@H]2C[C@H](OC(=O)C[C@@H]([C@H]([C@H]([C@H](C[C@H](C(=O)/C=C/[C@H]12)C)CC=O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@H]([C@H]([C@@](C1)(C)O)OC(=O)C)C)N(C)C)O)OC)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces halstedii subsp. deltae FERM-P 2504 Ref.
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