CHEBI:32050 - Premithramycin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Premithramycin B
ChEBI ID CHEBI:32050
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C53H72O24
Net Charge 0
Average Mass 1093.126
Monoisotopic Mass 1092.44135
InChI InChI=1S/C53H72O24/c1-18-29(73-34-14-30(43(58)21(4)69-34)74-33-13-28(55)42(57)20(3)68-33)12-26-10-25-11-27-48(67-9)47(62)38(19(2)54)50(64)53(27,51(65)40(25)46(61)39(26)41(18)56)77-36-16-32(45(60)23(6)71-36)75-35-15-31(44(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,42-45,48-49,55-63,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,42-,43-,44+,45-,48+,49-,52+,53-/m1/s1
InChIKey HCTADUCAPFYREF-OFWAWROCSA-N
SMILES CO[C@H]1[C@@H]2Cc3cc4cc(O[C@H]5C[C@@H](O[C@H]6C[C@@H](O)[C@H](O)[C@@H](C)O6)[C@H](O)[C@@H](C)O5)c(C)c(O)c4c(O)c3C(=O)[C@]2(O[C@H]2C[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@](C)(O)[C@H](O)[C@@H](C)O4)[C@@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)C(=O)C(C(C)=O)=C1O
ChEBI Ontology
Outgoing Premithramycin B (CHEBI:32050) is a oligosaccharide (CHEBI:50699)
Synonym Source
Premithramycin B KEGG COMPOUND
Manual Xref Database
C12388 KEGG COMPOUND
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Last Modified
28 July 2014