CHEBI:95164 - LSM-6439

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-6439
ChEBI ID CHEBI:95164
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C47H73NO17
Net Charge 0
Average Mass 924.081
Monoisotopic Mass 923.48785
InChI InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/t27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,40?,41?,42?,43?,44?,46-,47?/m1/s1
InChIKey APKFDSVGJQXUKY-PDFZMYFRSA-N
SMILES CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@@H]3C(C(C(C(O3)C)O)N)O
ChEBI Ontology
Outgoing LSM-6439 (CHEBI:95164) is a aminoglycoside (CHEBI:47779)
Manual Xref Database
LSM-6439 LINCS
View more database links