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CHEBI:156364 - lasalocid(1−)

ChEBI IDCHEBI:156364
ChEBI Namelasalocid(1−)
Stars
ASCII Namelasalocid(1-)
DefinitionA member of the class of benzoates that is the conjugate base of lasalocid, resulting from the deprotonation of the carboxy group. Major species at pH 7.3.
Last Modified19 August 2020
SubmitterAdnan
DownloadsMolfile
FormulaC34H53O8
Net Charge-1
Average Mass589.790
Monoisotopic Mass589.37459
SMILES[H][C@]1([C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc2ccc(C)c(O)c2C(=O)[O-])O[C@](CC)([C@@]2([H])CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C
InChIInChI=1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)/p-1/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+/m1/s1
InChIKeyBBMULGJBVDDDNI-OWKLGTHSSA-M
ChEBI Ontology
Outgoing Relation(s)
lasalocid(1−) (CHEBI:156364) is a benzoates (CHEBI:22718)
lasalocid(1−) (CHEBI:156364) is conjugate base of lasalocid (CHEBI:92181)
Incoming Relation(s)
lasalocid sodium (CHEBI:91848) has part lasalocid(1−) (CHEBI:156364)
lasalocid (CHEBI:92181) is conjugate acid of lasalocid(1−) (CHEBI:156364)
IUPAC Name 
(1S,9S)-1,5:6,9-dianhydro-9-[(3R,5S,6S,7R)-9-(2-carboxylato-3-hydroxy-4-methylphenyl)-6-hydroxy-5,7-dimethyl-4-oxononan-3-yl]-3,4,7,8-tetradeoxy-6-ethyl-2-C-ethyl-1,8-dimethyl-D-galacto-nonitol
Synonyms  Source
lasalocid anionChEBI
6-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydrofuran-2-yl}-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoateIUPAC