CHEBI:31927 - Nystatin A3

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ChEBI Name Nystatin A3
ChEBI ID CHEBI:31927
Stars This entity has been manually annotated by a third party.
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Formula C53H85NO20
Net Charge 0
Average Mass 1056.239
Monoisotopic Mass 1055.56649
InChI InChI=1S/C53H85NO20/c1-29-18-16-14-12-10-8-6-7-9-11-13-15-17-19-37(72-52-49(65)46(54)48(64)33(5)71-52)25-42-45(51(66)67)41(61)28-53(68,74-42)27-40(60)38(58)21-20-34(55)22-35(56)23-36(57)24-43(62)69-31(3)30(2)50(29)73-44-26-39(59)47(63)32(4)70-44/h6-7,9,11-19,29-42,44-50,52,55-61,63-65,68H,8,10,20-28,54H2,1-5H3,(H,66,67)/b7-6+,11-9+,14-12+,15-13+,18-16+,19-17+/t29-,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40+,41-,42-,44?,45+,46-,47-,48+,49-,50+,52-,53+/m0/s1
InChIKey IKYMLQOHQLVORI-PLAPNZKPSA-N
SMILES C[C@@H]1OC(C[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](C)\C=C\C=C\CC\C=C\C=C\C=C\C=C\[C@@H](C[C@@H]2O[C@@](O)(C[C@H](O)[C@H]2C(O)=O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@@H]1C)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](N)[C@@H]1O
ChEBI Ontology
Outgoing Nystatin A3 (CHEBI:31927) is a macrolide (CHEBI:25106)
Synonym Source
Nystatin A3 KEGG COMPOUND
Manual Xref Database
C12156 KEGG COMPOUND
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Registry Number Type Source
62997-67-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014