input word = C00031337

Metabolite InformationStructural formula
Name Scytonemin A
Formula C71H106N12O21
Mw 1462.75954854
CAS RN 112793-66-5
C_ID C00031337 ,
InChIKey CUMANCKPVNOUAO-UHFFFAOYNA-N
InChICode InChI=1S/C71H106N12O21/c1-10-37(4)55-65(97)75-47(25-27-84)64(96)77-49(29-44-20-15-12-16-21-44)62(94)72-31-53(90)79-56(60(92)36(2)3)69(101)81-26-24-38(5)57(81)66(98)76-48(30-46(104-71(103)41(8)74-42(9)86)23-17-22-45(87)28-43-18-13-11-14-19-43)61(93)68(100)78-50(35-85)63(95)73-32-54(91)82-33-51(88)40(7)59(82)70(102)83-34-52(89)39(6)58(83)67(99)80-55/h11-16,18-21,36-41,45-52,55-61,84-85,87-89,92-93H,10,17,22-35H2,1-9H3,(H,72,94)(H,73,95)(H,74,86)(H,75,97)(H,76,98)(H,77,96)(H,78,100)(H,79,90)(H,80,99)/t37-,38+,39-,40+,41+,45-,46-,47-,48+,49+,50-,51+,52-,55-,56-,57+,58-,59+,60-,61-/m0/s1
SMILES N12[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC(=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)[C@@H]([C@@H](C4)O)C)CO)O)C[C@H](CCC[C@@H](Cc1ccccc1)O)OC(=O)[C@H](NC(=O)C)C)[C@@H](CC3)C)[C@@H](O)C(C)C)Cc1ccccc1)CCO)[C@@H](C)CC)[C@H]([C@H](C2)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaScytonemataceaeScytonema sp. Ref.
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