input word = C00026875

Metabolite InformationStructural formula
Name Apicidin D2
Formula C34H51N5O6
Mw 625.3839344
CAS RN 177562-78-6
C_ID C00026875 ,
InChIKey XSKZVBPNWYDMNT-QKDYZVPPNA-N
InChICode InChI=1S/C34H51N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,24,26-27,29-30,40H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,24-,26-,27-,29+,30+/m0/s1
SMILES CC[C@H](O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)C([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium sp.ATCC74289 Ref.
FungiNectriaceaeFusarium sp.ATCC74322 Ref.
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