input word = C00016158

Metabolite InformationStructural formula
Name Sch 52900
(6S,6'S,7S,7'S)-2-De(hydroxymethyl)-19'-deoxy-6,6'-dihydroxy-2-(1-hydroxyethyl)-chaetocin
Formula C31H30N6O7S4
Mw 726.10588028
CAS RN 174285-71-3
C_ID C00016158 ,
InChIKey PRYIVLXRWBBBJH-JZLBXAISNA-N
InChICode InChI=1S/C31H30N6O7S4/c1-13(38)29-25(44)37-21-28(15-10-6-8-12-17(15)33-21,19(40)31(37,48-46-29)24(43)35(29)4)27-14-9-5-7-11-16(14)32-20(27)36-22(41)26(2)34(3)23(42)30(36,18(27)39)47-45-26/h5-13,18-21,32-33,38-40H,1-4H3/t13-,18+,19+,20-,21-,26+,27-,28-,29+,30+,31+/m1/s1
SMILES [C@]12(N(C(=O)[C@@]3(N(C1=O)[C@@H]1[C@]([C@@H]3O)(c3c(N1)cccc3)[C@]13[C@@H]([C@]45C(=O)N([C@](C(=O)N4[C@H]1Nc1c3cccc1)(SS5)[C@H](O)C)C)O)SS2)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala
Organism
Kingdom Family Species Reference
FungiHypocreaceaeGliocladium sp. (Culture SCF-1168) Ref.
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