CHEBI:104242 - LSM-15607

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-15607
ChEBI ID CHEBI:104242
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C46H56N4O10
Net Charge 0
Average Mass 824.959
Monoisotopic Mass 824.39964
InChI InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43+,44-,45+,46+/m1/s1
InChIKey OGWKCGZFUXNPDA-YPKBQUEXSA-N
SMILES CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing LSM-15607 (CHEBI:104242) is a vinca alkaloid (CHEBI:27288)
Manual Xref Database
LSM-15607 LINCS
View more database links