input word = C00018762

Metabolite InformationStructural formula
Name Cirramycin A1
Antibiotic B 58941B
NSC 246129
Formula C31H51NO10
Mw 597.35129686
CAS RN 25339-90-6
C_ID C00018762 ,
InChIKey PYLRKBRNWXMGSG-UUKLZXHENA-N
InChICode InChI=1S/C31H51NO10/c1-9-23-18(4)29-31(6,42-29)12-10-21(34)16(2)14-20(11-13-33)28(17(3)22(35)15-24(36)40-23)41-30-27(38)25(32(7)8)26(37)19(5)39-30/h10,12-13,16-20,22-23,25-30,35,37-38H,9,11,14-15H2,1-8H3/b12-10+/t16-,17-,18+,19+,20-,22-,23-,25+,26-,27-,28-,29-,30-,31+/m1/s1
SMILES O1[C@@H]2[C@H]([C@H](OC(=O)C[C@H]([C@H]([C@H]([C@@H](C[C@H](C(=O)/C=C/[C@]12C)C)CC=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C)O)N(C)C)O)C)O)CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces cirratus JTB-3 Ref.
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