input word = C00056683

Metabolite InformationStructural formula
Name 1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol
Formula C41H78O12S
Mw 794.52139869
CAS RN 122991-48-4
C_ID C00056683
InChIKey RVUUQPKXGDTQPG-JUDHQOGESA-N
InChICode InChI=1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)/t34-,35-,38-,39+,40-,41+/m1/s1
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalpighiaceaeByrsonima crassifolia Ref.
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OrganismByrsonima crassifolia
ReferenceCrossley, A. et al., JCS, 1959, 760-764 (acyl migration)