input word = C00031645

Metabolite InformationStructural formula
Name Calophycin
Formula C56H96N16O16
Mw 1248.71902114
CAS RN 138754-64-0
C_ID C00031645 ,
InChIKey UAZZFDUYHPLRJY-UHFFFAOYNA-N
InChICode InChI=1S/C56H96N16O16/c1-7-8-9-10-11-12-13-14-15-16-19-31(4)45-46(79)53(86)69-44(30(2)3)52(85)64-32(5)47(80)67-36(27-43(77)78)50(83)68-35(26-40(58)74)49(82)66-33(22-23-39(57)73)48(81)63-29-42(76)65-34(20-17-24-62-56(60)61)54(87)71(6)38(28-41(59)75)55(88)72-25-18-21-37(72)51(84)70-45/h30-38,44-46,79H,7-29H2,1-6H3,(H2,57,73)(H2,58,74)(H2,59,75)(H,63,81)(H,64,85)(H,65,76)(H,66,82)(H,67,80)(H,68,83)(H,69,86)(H,70,84)(H,77,78)(H4,60,61,62)/t31-,32+,33-,34-,35+,36+,37-,38-,44-,45-,46-/m0/s1
SMILES [C@@H]12N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC1=O)[C@@H](C)CCCCCCCCCCCC)O)C(C)C)C)CC(=O)O)CC(=O)N)CCC(=O)N)CCCNC(=N)N)C)CC(=O)N)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Calothrix fusca Ref.
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