input word = C00016081

Metabolite InformationStructural formula
Name MJ 347-81F4 B
Formula C60H58N14O18S5
Mw 1422.26570481
CAS RN 214044-53-8
C_ID C00016081 ,
InChIKey RQEPNTVQILZFPS-JRZNSJKLNA-N
InChICode InChI=1S/C60H58N14O18S5/c1-21(47(61)77)63-48(78)30-18-96-56(68-30)41-35(76)11-26-40(70-41)29-16-94-54(65-29)28-15-90-58(83)43-27-14-88-44(45(92-36-12-60(5,85)46(62-6)24(4)91-36)59(84)89-13-25-9-8-10-34(37(25)27)74(43)86)42(57-69-31(19-97-57)49(79)64-28)73-51(81)33-20-95-55(67-33)39(23(3)87-7)72-52(82)38(22(2)75)71-50(80)32-17-93-53(26)66-32/h8-11,16-20,22,24,28,36,38,42,44-46,62,75-76,85-86H,1,12-15H2,2-7H3,(H2,61,77)(H,63,78)(H,64,79)(H,71,80)(H,72,82)(H,73,81)/b39-23+/t22-,24-,28+,36+,38-,42+,44-,45+,46-,60-/m1/s1
SMILES c12c3cccc1COC(=O)[C@H]([C@@H]1OCc2c(n3O)C(=O)OC[C@@H]2NC(=O)c3nc(sc3)[C@H]1NC(=O)c1csc(n1)/C(=C(\OC)/C)/NC(=O)[C@H](NC(=O)c1csc(n1)c1cc(c(nc1c1csc2n1)c1scc(n1)C(=O)NC(=C)C(=O)N)O)[C@@H](C)O)O[C@H]1C[C@@]([C@@H]([C@H](O1)C)NC)(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis sp. MJ347-81F4 Ref.
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OrganismAmycolatopsis sp. MJ347-81F4
ReferenceSasaki,J.Antibiotics 51,(1998),715