CHEBI:94515 - LSM-5313

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ChEBI Name LSM-5313
ChEBI ID CHEBI:94515
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C53H83NO14
Net Charge 0
Average Mass 958.226
Monoisotopic Mass 957.58136
InChI InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1
InChIKey HKVAMNSJSFKALM-DHGBBOBXSA-N
SMILES C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)C)O)OC)C)C)C)OC
ChEBI Ontology
Outgoing LSM-5313 (CHEBI:94515) is a lactam (CHEBI:24995)
LSM-5313 (CHEBI:94515) is a macrolide (CHEBI:25106)
Manual Xref Database
LSM-5313 LINCS
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