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 C/C=C1/NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)C(O)C(CC(O)CC(OC(=O)C(Cc2ccc(O)cc2)N(C)C(C)=O)C(O)CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)C(CCc2ccccc2)NC(=O)C([C@@H](C)O)NC1=O
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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