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CHEBI:71974 - retaspimycin(1+)

ChEBI IDCHEBI:71974
ChEBI Nameretaspimycin(1+)
Stars
DefinitionAn organic cation obtained by protonation of retaspimycin.
Last Modified30 January 2013
SubmitterSteve
DownloadsMolfile
FormulaH.C31H45N3O8
Net Charge+1
Average Mass588.722
Monoisotopic Mass588.32794
SMILESC=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)N2.[H+]
InChIInChI=1S/C31H45N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/p+1/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
InChIKeyOAKGNIRUXAZDQF-TXHRRWQRSA-O
ChEBI Ontology
Outgoing Relation(s)
retaspimycin(1+) (CHEBI:71974) is a organic cation (CHEBI:25697)
retaspimycin(1+) (CHEBI:71974) is conjugate acid of retaspimycin (CHEBI:71975)
Incoming Relation(s)
retaspimycin hydrochloride (CHEBI:71956) has part retaspimycin(1+) (CHEBI:71974)
retaspimycin (CHEBI:71975) is conjugate base of retaspimycin(1+) (CHEBI:71974)
Synonym  Source
retaspimycin cationChEBI