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CHEBI:80065 - Patellamide B

ChEBI IDCHEBI:80065
ChEBI NamePatellamide B
Stars
DownloadsMolfile
FormulaC38H48N8O6S2
Net Charge0
Average Mass776.986
Monoisotopic Mass776.31382
SMILESCC[C@H](C)[C@@H]1NC(=O)c2csc(n2)[C@@H](C)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](CC(C)C)NC(=O)c2csc(n2)[C@@H](Cc2ccccc2)NC(=O)[C@H]2N=C1O[C@@H]2C
InChIInChI=1S/C38H48N8O6S2/c1-8-19(4)28-36-46-30(22(7)52-36)34(50)41-25(15-23-12-10-9-11-13-23)38-43-26(17-54-38)31(47)40-24(14-18(2)3)35-45-29(21(6)51-35)33(49)39-20(5)37-42-27(16-53-37)32(48)44-28/h9-13,16-22,24-25,28-30H,8,14-15H2,1-7H3,(H,39,49)(H,40,47)(H,41,50)(H,44,48)/t19-,20+,21+,22+,24-,25+,28-,29-,30-/m0/s1
InChIKeyFDAPKNJHIHKHDM-XGKKPBRYSA-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)
Patellamide B (CHEBI:80065) is a cyclic peptide (CHEBI:23449)
Manual XrefsDatabases
C15736KEGG COMPOUND
C00028808KNApSAcK
Registry NumbersSources
CAS:81098-23-9KEGG COMPOUND