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CHEBI:80082 - Septacidin

ChEBI IDCHEBI:80082
ChEBI NameSeptacidin
Stars
DownloadsMolfile
FormulaC30H51N7O7
Net Charge0
Average Mass621.780
Monoisotopic Mass621.38500
SMILESCC(C)CCCCCCCCCCCCC(=O)NCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](Nc2ncnc3ncnc23)O[C@H]1C(O)CO
InChIInChI=1S/C30H51N7O7/c1-19(2)13-11-9-7-5-3-4-6-8-10-12-14-21(40)31-15-22(41)36-23-25(42)26(43)30(44-27(23)20(39)16-38)37-29-24-28(33-17-32-24)34-18-35-29/h17-20,23,25-27,30,38-39,42-43H,3-16H2,1-2H3,(H,31,40)(H,36,41)(H2,32,33,34,35,37)/t20?,23-,25-,26+,27+,30+/m1/s1
InChIKeyYBZRLMLGUBIIDN-CGWIKHJNSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Septacidin (CHEBI:80082) is a N-acyl-amino acid (CHEBI:51569)
Manual XrefsDatabases
C15754KEGG COMPOUND
Registry NumbersSources
CAS:62362-59-8KEGG COMPOUND