CHEBI:94733 - LSM-5820

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-5820
ChEBI ID CHEBI:94733
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C45H74O11
Net Charge 0
Average Mass 791.064
Monoisotopic Mass 790.52311
InChI InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/t25-,26-,27+,28-,29+,30-,31-,32-,33-,34-,35+,36-,38+,40+,41-,42-,44+,45+/m1/s1
InChIKey MNULEGDCPYONBU-VERRCTHDSA-N
SMILES CC[C@H]1CC[C@H]2[C@@H]([C@H]([C@H]([C@]3(O2)CC[C@H]([C@H](O3)C[C@@H](C)O)C)C)OC(=O)C=C[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@@]([C@@H]([C@H](CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C
ChEBI Ontology
Outgoing LSM-5820 (CHEBI:94733) is a macrolide (CHEBI:25106)
Manual Xref Database
LSM-5820 LINCS
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