CHEBI:142975 - marinolate C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name marinolate C
ChEBI ID CHEBI:142975
Definition A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of marinolic acid C. The major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
more structures >>
Formula C25H41O8
Net Charge -1
Average Mass 469.596
Monoisotopic Mass 469.28069
InChI InChI=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
InChIKey RJHPSMAZNAJFHT-YUDKCSBMSA-M
SMILES [C@H]1([C@@H]([C@H](CO[C@H]1C/C(=C/C(OCCCCCCCC([O-])=O)=O)/C)C/C=C/[C@H]([C@H](C)O)C)O)O
ChEBI Ontology
Outgoing 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 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
Synonym Source
marinolate C UniProt
Manual Xref Database
CPD-18978 MetaCyc
View more database links
Citation Type Source
25726835 PubMed citation SUBMITTER
Last Modified
24 August 2019