input word = C00047982

Metabolite InformationStructural formula
Name Lyngbyazothrin A
Formula C62H96N1O19
Mw 1158.65765489
CAS RN 1182344-87-1
C_ID C00047982 ,
InChIKey ACFCYNJDAMJVRV-HJXXPMRWNA-N
InChICode InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36-,39+,40+,41+,42-,43-,44-,45-,46+,47-,50+,51-,52-/m0/s1
SMILES N12[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)N[C@@H](C(=O)N3[C@H](C(=O)N[C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N4[C@H](C1=O)CCC4)CCC(=O)N)O)C[C@H](O)C[C@H](O)[C@H](O)CC(C)C)CCC3)CCc1ccc(cc1)OC)[C@@H](C)O)CO)[C@@H](C)CC)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Lyngbya sp. 36.91 Ref.
zoom in