CHEBI:80063 - Patellamide A

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ChEBI Name Patellamide A
ChEBI ID CHEBI:80063
Stars This entity has been manually annotated by a third party.
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Formula C35H50N8O6S2
Net Charge 0
Average Mass 742.95200
Monoisotopic Mass 742.32947
InChI InChI=1S/C35H50N8O6S2/c1-10-17(7)25-32-36-20(12-48-32)28(44)39-23(15(3)4)34-37-22(14-50-34)30(46)42-26(18(8)11-2)33-43-27(19(9)49-33)31(47)40-24(16(5)6)35-38-21(13-51-35)29(45)41-25/h13-20,23-27H,10-12H2,1-9H3,(H,39,44)(H,40,47)(H,41,45)(H,42,46)/t17-,18-,19+,20-,23+,24+,25-,26-,27-/m0/s1
InChIKey ZGJIVWQOEHQWLW-SWTUTNCKSA-N
SMILES CC[C@H](C)[C@@H]1NC(=O)c2csc(n2)[C@H](NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H](NC(=O)c2csc(n2)[C@H](NC(=O)[C@@H]2COC1=N2)C(C)C)[C@@H](C)CC)C(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Patellamide A (CHEBI:80063) is a cyclic peptide (CHEBI:23449)
Manual Xrefs Databases
C00028807 KNApSAcK
C15734 KEGG COMPOUND
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Registry Number Type Source
81120-73-2 CAS Registry Number KEGG COMPOUND