input word = C00028329

Metabolite InformationStructural formula
Name Haligramide B
Formula C37H49N7O7S3
Mw 799.28555916
CAS RN 282096-25-7
C_ID C00028329 ,
InChIKey NVTNPQUBTWLADB-VPDJBHDWNA-N
InChICode InChI=1S/C37H49N7O7S3/c1-52-19-14-24-35(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)38-25(15-20-54(2)51)36(49)44-18-8-13-30(44)37(50)43-17-7-12-29(43)32(46)39-24/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-,54+/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)CC[S@](=O)C
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Lys
Organism
Kingdom Family Species Reference
AnimaliaChalinidaeHaliclona nigra Ref.
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