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CHEBI:146261 - 9-O-adenylylspectinomycin zwitterion

Default Structure
ChEBI IDCHEBI:146261
ChEBI Name9-O-adenylylspectinomycin zwitterion
Stars
ASCII Name9-O-adenylylspectinomycin zwitterion
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC24H36N7O13P
Net Charge0
Average Mass661.562
Monoisotopic Mass661.21087
SMILES[H][C@]12O[C@H]3[C@H](O[C@@]1(O)C(=O)C[C@@H](C)O2)[C@@H](NC)[C@@H](O)[C@@H]([NH2+]C)[C@@H]3OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C24H36N7O13P/c1-8-4-10(32)24(36)23(40-8)42-19-17(43-24)11(26-2)15(34)12(27-3)18(19)44-45(37,38)39-5-9-14(33)16(35)22(41-9)31-7-30-13-20(25)28-6-29-21(13)31/h6-9,11-12,14-19,22-23,26-27,33-36H,4-5H2,1-3H3,(H,37,38)(H2,25,28,29)/t8-,9-,11+,12-,14-,15-,16-,17-,18+,19+,22-,23+,24+/m1/s1
InChIKeyYWELMMKQVLJFMW-QEYXCPIGSA-N
ChEBI Ontology
Outgoing Relation(s)
9-O-adenylylspectinomycin zwitterion (CHEBI:146261) is a organic molecular entity (CHEBI:50860)
UniProt Name  Source
9-O-adenylylspectinomycinUniProt
Citations