CHEBI:31904 - Nicomol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Nicomol
ChEBI ID CHEBI:31904
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C34H32N4O9
C34H32N4O9
Net Charge 0
Average Mass 640.641
Monoisotopic Mass 640.21693
InChI InChI=1S/C34H32N4O9/c39-28(24-6-1-12-35-16-24)44-20-33(21-45-29(40)25-7-2-13-36-17-25)10-5-11-34(32(33)43,22-46-30(41)26-8-3-14-37-18-26)23-47-31(42)27-9-4-15-38-19-27/h1-4,6-9,12-19,32,43H,5,10-11,20-23H2
InChIKey VRAHPESAMYMDQI-UHFFFAOYSA-N
SMILES C(OC(=O)C=1C=CC=NC1)C2(COC(=O)C=3C=CC=NC3)C(O)C(COC(=O)C=4C=CC=NC4)(COC(=O)C=5C=CC=NC5)CCC2
ChEBI Ontology
Outgoing Nicomol (CHEBI:31904) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
cholexamin DrugCentral
cholexamine DrugCentral
Nicomol KEGG COMPOUND
Manual Xrefs Databases
1917 DrugCentral
D01291 KEGG DRUG
View more database links
Registry Number Type Source
27959-26-8 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017