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CHEBI:5823 - Hymenocardine

ChEBI IDCHEBI:5823
ChEBI NameHymenocardine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC37H50N6O6
Net Charge0
Average Mass674.843
Monoisotopic Mass674.37918
SMILESCC[C@H](C)[C@@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@@H](Cc2cnc3ccccc23)C(=O)NCC(=O)c2ccc(cc2)OC1(C)C)C(C)C)N(C)C
InChIInChI=1S/C37H50N6O6/c1-9-22(4)31(43(7)8)35(47)41-30(21(2)3)34(46)42-32-36(48)40-28(18-24-19-38-27-13-11-10-12-26(24)27)33(45)39-20-29(44)23-14-16-25(17-15-23)49-37(32,5)6/h10-17,19,21-22,28,30-32,38H,9,18,20H2,1-8H3,(H,39,45)(H,40,48)(H,41,47)(H,42,46)/t22-,28-,30-,31-,32+/m0/s1
InChIKeyATQXXRJEZULCTG-DLCFQVRISA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Hymenocardine (CHEBI:5823) is a cyclic peptide (CHEBI:23449)
Synonym  Source
HymenocardineKEGG COMPOUND
Manual XrefsDatabases
C10004KEGG COMPOUND
C00001999KNApSAcK
Registry NumbersSources
CAS:19771-56-3KEGG COMPOUND