CHEBI:145790 - mupirocin(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name mupirocin(1−)
ChEBI ID CHEBI:145790
ChEBI ASCII Name mupirocin(1-)
Definition A monocarboxylic acid anion that is the conjugate base of mupirocin obtained by the deprotonation of the carboxy group; major microspecies at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H43O9
Net Charge -1
Average Mass 499.622
Monoisotopic Mass 499.29126
InChI InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/p-1/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1
InChIKey MINDHVHHQZYEEK-HBBNESRFSA-M
SMILES [C@H]1([C@@H]([C@H](CO[C@H]1C\C(=C\C(OCCCCCCCCC([O-])=O)=O)\C)C[C@]2([C@](O2)([H])[C@@H](C)[C@H](C)O)[H])O)O
ChEBI Ontology
Outgoing mupirocin(1−) (CHEBI:145790) is a monocarboxylic acid anion (CHEBI:35757)
mupirocin(1−) (CHEBI:145790) is conjugate base of mupirocin (CHEBI:7025)
Incoming mupirocin calcium (anhydrous) (CHEBI:145818) has part mupirocin(1−) (CHEBI:145790)
mupirocin (CHEBI:7025) is conjugate acid of mupirocin(1−) (CHEBI:145790)
IUPAC Name
9-({(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoyl}oxy)nonanoate
Last Modified
17 January 2020