CHEBI:156364 - lasalocid(1−)

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ChEBI Name lasalocid(1−)
ChEBI ID CHEBI:156364
ChEBI ASCII Name lasalocid(1-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C34H53O8
Net Charge -1
Average Mass 589.791
Monoisotopic Mass 589.37459
InChI InChI=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
InChIKey BBMULGJBVDDDNI-OWKLGTHSSA-M
SMILES [H][C@@]1(O[C@@](CC)(C[C@@H]1C)[C@@]1([H])CC[C@](O)(CC)[C@H](C)O1)[C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC1=C(C([O-])=O)C(O)=C(C)C=C1
ChEBI Ontology
Outgoing lasalocid(1−) (CHEBI:156364) is a benzoates (CHEBI:22718)
lasalocid(1−) (CHEBI:156364) is conjugate base of lasalocid (CHEBI:92181)
Incoming 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 Sources
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-methylbenzoate IUPAC
lasalocid anion ChEBI
Last Modified
19 August 2020