CHEBI:100643 - LSM-12017

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-12017
ChEBI ID CHEBI:100643
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H35N5O4
Net Charge 0
Average Mass 493.599
Monoisotopic Mass 493.26890
InChI InChI=1S/C27H35N5O4/c1-28(2)16-23(34)32-22-15-31-21(10-9-19(26(31)35)18-7-5-4-6-8-18)25(32)24(20(22)17-33)27(36)30-13-11-29(3)12-14-30/h4-10,20,22,24-25,33H,11-17H2,1-3H3/t20-,22-,24+,25+/m0/s1
InChIKey HDUKPTJRZGCVRV-MMTHZHQFSA-N
SMILES CN1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5)[C@H]2N3C(=O)CN(C)C)CO
ChEBI Ontology
Outgoing LSM-12017 (CHEBI:100643) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-12017 LINCS
View more database links