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CHEBI:142975 - marinolate C

ChEBI IDCHEBI:142975
ChEBI Namemarinolate C
Stars
DefinitionA monocarboxylic acid anion resulting from the deprotonation of the carboxy group of marinolic acid C. The major species at pH 7.3.
Last Modified24 August 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H41O8
Net Charge-1
Average Mass469.595
Monoisotopic Mass469.28069
SMILESC/C(=C\C(=O)OCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C25H42O8/c1-17(15-23(29)32-13-8-6-4-5-7-12-22(27)28)14-21-25(31)24(30)20(16-33-21)11-9-10-18(2)19(3)26/h9-10,15,18-21,24-26,30-31H,4-8,11-14,16H2,1-3H3,(H,27,28)/p-1/b10-9+,17-15+/t18-,19+,20+,21+,24-,25+/m1/s1
InChIKeyRJHPSMAZNAJFHT-YUDKCSBMSA-M
ChEBI Ontology
Outgoing Relation(s)
marinolate C (CHEBI:142975) is a marilonates (CHEBI:155967)
marinolate C (CHEBI:142975) is a monocarboxylic acid anion (CHEBI:35757)
marinolate C (CHEBI:142975) is conjugate base of marinolic acid C (CHEBI:144638)
Incoming Relation(s)
marinolic acid C (CHEBI:144638) is conjugate acid of marinolate C (CHEBI:142975)
IUPAC Name 
(2E)-4-{(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2E,4R,5S)-5-hydroxy-4-methylhex-2-en-1-yl]oxan-2-yl}-3-methylbut-2-enoate
UniProt Name  Source
marinolate CUniProt
Manual XrefsDatabases
CPD-18978MetaCyc
Citations