input word = C00047985

Metabolite InformationStructural formula
Name Lyngbyazothrin D
Formula C73H107N13O21
Mw 1501.77044758
CAS RN 1182344-90-6
C_ID C00047985 ,
InChIKey GKYWDYHEERSBNW-SQHCJEFANA-N
InChICode InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(91)36-57(56(92)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46+,48+,49+,50-,51-,52-,53-,54-,55-,56-,57-,60+,61+,62+/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](OC(=O)[C@@H](N(C(=O)C)C)Cc1ccc(cc1)O)[C@@H](O)CC(C)C)CCC3)CCc1ccccc1)[C@@H](C)O)CO)[C@@H](C)CC)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Asp
Organism
Kingdom Family Species Reference
--Lyngbya sp. 36.91 Ref.
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