input word = C00014905

Metabolite InformationStructural formula
Name MJ 347-81F4 A
Nocathiacin I
Nocathiacine I
Formula C61H60N14O18S5
Mw 1436.28135487
CAS RN 214044-52-7
C_ID C00014905 ,
InChIKey FFLJEMWVYVKPDW-BKATUZMVNA-N
InChICode InChI=1S/C61H60N14O18S5/c1-22(48(62)78)63-49(79)31-19-97-57(68-31)42-36(77)12-27-41(70-42)30-17-95-55(65-30)29-16-91-59(84)44-28-15-89-45(46(93-37-13-61(5,86)47(74(6)7)25(4)92-37)60(85)90-14-26-10-9-11-35(38(26)28)75(44)87)43(58-69-32(20-98-58)50(80)64-29)73-52(82)34-21-96-56(67-34)40(24(3)88-8)72-53(83)39(23(2)76)71-51(81)33-18-94-54(27)66-33/h9-12,17-21,23,25,29,37,39,43,45-47,76-77,86-87H,1,13-16H2,2-8H3,(H2,62,78)(H,63,79)(H,64,80)(H,71,81)(H,72,83)(H,73,82)/b40-24+/t23-,25-,29-,37-,39-,43+,45+,46-,47+,61+/m1/s1
SMILES c1ccc2c3c1n(c1c3CO[C@H]([C@H](C(=O)OC2)O[C@@H]2C[C@]([C@H]([C@H](O2)C)N(C)C)(C)O)[C@H]2c3nc(C(=O)N[C@H](COC1=O)c1nc(cs1)c1c(cc(c(n1)c1scc(n1)C(=O)NC(=C)C(=O)N)O)c1nc(C(=O)N[C@@H](C(=O)N/C(=C(/OC)\C)/c4scc(C(=O)N2)n4)[C@H](O)C)cs1)cs3)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia sp. WW-12651(ATCC 202099) Ref.
BacteriaPseudonocardiaceaeAmycolatopsis fastidiosa Ref.
BacteriaPseudonocardiaceaeAmycolatopsis sp. MJ347-81F4 Ref.
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OrganismNocardia sp. WW-12651(ATCC 202099)
ReferenceLi,J.Antibiotics 56,(2003),226