input word = C00028328

Metabolite InformationStructural formula
Name Haligramide A
Formula C37H49N7O6
Mw 687.37443235
CAS RN 282096-24-6
C_ID C00028328 ,
InChIKey SWVJMXXZNXPPSG-BPWXGPFCNA-N
InChICode InChI=1S/C37H49N7O6S3/c1-51-19-14-24-36(49)44-18-8-13-30(44)37(50)43-17-7-12-29(43)32(46)39-25(15-20-52-2)35(48)42-16-6-11-28(42)33(47)40-26(21-23-9-4-3-5-10-23)34-41-27(22-53-34)31(45)38-24/h3-5,9-10,22,24-26,28-30H,6-8,11-21H2,1-2H3,(H,38,45)(H,39,46)(H,40,47)/t24-,25-,26-,28-,29-,30-/m0/s1
SMILES c12scc(n1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]2Cc1ccccc1)CCSC)CCSC
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Lys
Organism
Kingdom Family Species Reference
AnimaliaChalinidaeHaliclona nigra Ref.
zoom in