input word = C00038682

Metabolite InformationStructural formula
Name Calyceramide B
Formula C34H67NO7S
Mw 633.46382423
CAS RN 346425-30-7
C_ID C00038682 ,
InChIKey QBEVDDCJLTYDSI-JQYPHATBNA-N
InChICode InChI=1S/C34H67NO7S/c1-5-30(4)25-21-17-14-15-19-23-27-33(37)34(38)35-31(28-42-43(39,40)41)32(36)26-22-18-13-11-9-7-6-8-10-12-16-20-24-29(2)3/h22,26,29-33,36-37H,5-21,23-25,27-28H2,1-4H3,(H,35,38)(H,39,40,41)/b26-22+/t30-,31-,32+,33+/m0/s1
SMILES C(CCCCCCCCC/C=C/[C@H]([C@H](COS(=O)(=O)O)NC(=O)[C@@H](CCCCCCCC[C@H](CC)C)O)O)CCC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Discodermia calyx Ref.
zoom in