input word = C00016691

Metabolite InformationStructural formula
Name Leptosin I
Leptosine I
Formula C32H32N6O7S4
Mw 740.12153034
CAS RN 160472-96-8
C_ID C00016691 ,
InChIKey PZFMMBJJDMZAIP-UHFFFAOYNA-N
InChICode InChI=1S/C32H32N6O7S4/c1-14(2)31-27(44)38-24-29(16-10-6-8-12-18(16)34-24)22(32(38,26(43)36(31)4)47-49-48-46-31)45-30-21(41)28(29)15-9-5-7-11-17(15)33-23(28)37(30)20(40)19(13-39)35(3)25(30)42/h5-12,14,19,21-24,33-34,39,41H,13H2,1-4H3/t19-,21-,22-,23+,24+,28+,29+,30+,31-,32+/m0/s1
SMILES S1S[C@]2(C(=O)N3[C@@](SS1)([C@@H]1[C@]4([C@@H]3Nc3c4cccc3)[C@]34[C@H](Nc5c3cccc5)N3[C@@]([C@H]4O)(C(=O)N([C@H](C3=O)CO)C)O1)C(=O)N2C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiPhaeosphaeriaceaeLeptosphaeria sp. OUPS-4 Ref.
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