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CHEBI:178027 - hainanate A

ChEBI IDCHEBI:178027
ChEBI Namehainanate A
Stars
DefinitionA steroid acid anion that is the conjugate base of hainanic acid A resulting from the deprotonation of the carboxy group; major species at pH 7.3.
Last Modified13 September 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H43O5
Net Charge-1
Average Mass483.669
Monoisotopic Mass483.31160
SMILES[H][C@]1([C@H](C)C[C@H](O)/C=C(\C)C(=O)[O-])CC[C@@]2(C)C3=C(CC[C@@]21C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
InChIInChI=1S/C30H44O5/c1-17(14-19(31)15-18(2)26(34)35)20-8-13-30(7)25-21(9-12-29(20,30)6)28(5)11-10-24(33)27(3,4)23(28)16-22(25)32/h15,17,19-20,23,31H,8-14,16H2,1-7H3,(H,34,35)/p-1/b18-15+/t17-,19+,20-,23?,28-,29-,30+/m1/s1
InChIKeyWCPRSKXCWMBEHO-DLDLXSDHSA-M
ChEBI Ontology
Outgoing Relation(s)
hainanate A (CHEBI:178027) is a dioxo monocarboxylic acid anion (CHEBI:35979)
hainanate A (CHEBI:178027) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
hainanate A (CHEBI:178027) is a steroid acid anion (CHEBI:50160)
hainanate A (CHEBI:178027) is conjugate base of hainanic acid A (CHEBI:180457)
Incoming Relation(s)
hainanic acid A (CHEBI:180457) is conjugate acid of hainanate A (CHEBI:178027)
IUPAC Name 
(5ξ,23S,24E)-23-hydroxy-3,7-dioxolanosta-8,24-dien-26-oate
Synonyms  Source
(+)-hainanate AChEBI
hainanic acid A anionChEBI
hainanic acid A(1−)ChEBI
UniProt Name  Source
hainanate AUniProt
Citations