input word = C00039920

Metabolite InformationStructural formula
Name Pahayokolide A
Formula C72H105N13O20
Mw 1471.75988289
CAS RN 853997-01-0
C_ID C00039920 ,
InChIKey KAWIJJOWYRPPRV-CEGVPRPGNA-N
InChICode InChI=1S/C72H105N13O20/c1-10-46-63(95)81-52(38-86)66(98)76-47(11-2)64(96)82-60(41(7)87)69(101)78-49(27-26-43-20-14-12-15-21-43)71(103)85-31-19-25-54(85)68(100)79-50(35-45(36-57(90)56(89)33-40(5)6)105-72(104)55(32-39(3)4)83(9)42(8)88)61(93)70(102)77-48(28-29-58(73)91)62(94)74-37-59(92)84-30-18-24-53(84)67(99)80-51(65(97)75-46)34-44-22-16-13-17-23-44/h10-17,20-23,39-41,45,48-57,60-61,86-87,89-90,93H,18-19,24-38H2,1-9H3,(H2,73,91)(H,74,94)(H,75,97)(H,76,98)(H,77,102)(H,78,101)(H,79,100)(H,80,99)(H,81,95)(H,82,96)/b46-10-,47-11+/t41-,45+,48-,49-,50+,51-,52-,53-,54-,55-,56+,57-,60+,61+/m0/s1
SMILES [C@@H]1([C@@H](O)C)C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@@H]([C@H](C(=O)N[C@H](C(=O)NCC(=O)N3[C@H](C(=O)N[C@H](C(=O)N/C(=C\C)/C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N1)CO)Cc1ccccc1)CCC3)CCC(=O)N)O)C[C@@H](OC(=O)[C@@H](N(C(=O)C)C)CC(C)C)C[C@@H]([C@@H](CC(C)C)O)O)CCC2)CCc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Lyngbya sp. Ref.
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