CHEBI:140232 - sordaricin(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sordaricin(1−)
ChEBI ID CHEBI:140232
ChEBI ASCII Name sordaricin(1-)
Definition A 3-oxo monocarboxylic acid anion that is the conjugate base of sordaricin, arising from deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C20H27O4
Net Charge -1
Average Mass 331.427
Monoisotopic Mass 331.19148
InChI InChI=1S/C20H28O4/c1-11(2)16-6-13-7-19(10-22)15-5-4-12(3)14(15)8-18(13,9-21)20(16,19)17(23)24/h6,10-15,21H,4-5,7-9H2,1-3H3,(H,23,24)/p-1/t12-,13+,14-,15-,18+,19+,20-/m1/s1
InChIKey QIMCUSGGYZHVEF-VULLPXFTSA-M
SMILES [C@@]12([C@]3([C@](C[C@@]1([C@]4([H])CC[C@H]([C@]4(C3)[H])C)C=O)(C=C2C(C)C)[H])CO)C([O-])=O
ChEBI Ontology
Outgoing sordaricin(1−) (CHEBI:140232) is a 3-oxo monocarboxylic acid anion (CHEBI:35973)
sordaricin(1−) (CHEBI:140232) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
sordaricin(1−) (CHEBI:140232) is conjugate base of sordaricin (CHEBI:140259)
Incoming sordaricin (CHEBI:140259) is conjugate acid of sordaricin(1−) (CHEBI:140232)
IUPAC Name
(1R,3aR,4S,4aR,7R,7aR,8aS)-4-formyl-8a-(hydroxymethyl)-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylate
Synonym Source
sordaricin UniProt
Manual Xref Database
CPD-20460 MetaCyc
View more database links
Citations Waiting for Citations Types Sources
12565963 PubMed citation SUBMITTER
27072286 PubMed citation SUBMITTER
Last Modified
01 March 2018