CHEBI:80087 - SW 163C

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ChEBI Name SW 163C
ChEBI ID CHEBI:80087
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C52H60N10O14S2
Net Charge 0
Average Mass 1113.22100
Monoisotopic Mass 1112.373
InChI InChI=1S/C52H60N10O14S2/c1-25-19-51(25)49(73)75-21-33(57-43(67)39-37(63)17-29-13-9-11-15-31(29)55-39)41(65)53-28(4)46(70)60(6)36-24-78-77-23-35(47(71)61(51)7)59(5)45(69)27(3)54-42(66)34(22-76-50(74)52(20-26(52)2)62(8)48(36)72)58-44(68)40-38(64)18-30-14-10-12-16-32(30)56-40/h9-18,25-28,33-36,63-64H,19-24H2,1-8H3,(H,53,65)(H,54,66)(H,57,67)(H,58,68)
InChIKey LWKICZFLUHYJAT-UHFFFAOYSA-N
SMILES CC1CC11N(C)C(=O)C2CSSCC(N(C)C(=O)C(C)NC(=O)C(COC1=O)NC(=O)c1nc3ccccc3cc1O)C(=O)N(C)C1(CC1C)C(=O)OCC(NC(=O)c1nc3ccccc3cc1O)C(=O)NC(C)C(=O)N2C
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 SW 163C (CHEBI:80087) is a cyclodepsipeptide (CHEBI:35213)
Manual Xref Database
C15763 KEGG COMPOUND
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