input word = C00016020

Metabolite InformationStructural formula
Name Harzianin PCU 4
Formula C67H115N15O17
Mw 1401.85953736
CAS RN 204577-63-9
C_ID C00016020 ,
InChIKey NIAXRVJIBJMWMW-XGMYIASNNA-N
InChICode InChI=1S/C67H115N15O17/c1-20-38(8)49(74-51(88)44(34-84)71-55(92)46-25-22-28-81(46)60(97)65(14,15)76-52(89)40(30-35(2)3)69-50(87)42(32-48(68)86)73-58(95)63(10,11)75-39(9)85)57(94)79-67(18,19)62(99)82-29-23-26-47(82)56(93)78-64(12,13)59(96)72-41(31-36(4)5)53(90)77-66(16,17)61(98)80-27-21-24-45(80)54(91)70-43(33-83)37(6)7/h35-38,40-47,49,83-84H,20-34H2,1-19H3,(H2,68,86)(H,69,87)(H,70,91)(H,71,92)(H,72,96)(H,73,95)(H,74,88)(H,75,85)(H,76,89)(H,77,90)(H,78,93)(H,79,94)/t38-,40-,41-,42-,43+,44-,45-,46-,47-,49-/m0/s1
SMILES NC(=O)C[C@H](NC(=O)C(C)(C)NC(=O)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)N[C@H](C(=O)NC(C)(C)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](C(C)C)CO)CC(C)C)CO)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
FungiHypocreaceaeTrichoderma harzianum Ref.
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