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CHEBI:142850 - 3β-hydroxy-5α-ergosta-7,24(28)-diene-4α-carboxylate

Default Structure
ChEBI IDCHEBI:142850
ChEBI Name3β-hydroxy-5α-ergosta-7,24(28)-diene-4α-carboxylate
Stars
ASCII Name3beta-hydroxy-5alpha-ergosta-7,24(28)-diene-4alpha-carboxylate
DefinitionA steroid acid anion resulting from the deprotonation of the carboxy group of 3β-hydroxy-5α-ergosta-7,24(28)-diene-4α-carboxylic acid. The major species at pH 7.3.
Last Modified11 November 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC29H45O3
Net Charge-1
Average Mass441.676
Monoisotopic Mass441.33742
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])[C@H](C(=O)[O-])[C@@H](O)CC[C@]12C
InChIInChI=1S/C29H46O3/c1-17(2)18(3)7-8-19(4)21-11-12-22-20-9-10-24-26(27(31)32)25(30)14-16-29(24,6)23(20)13-15-28(21,22)5/h9,17,19,21-26,30H,3,7-8,10-16H2,1-2,4-6H3,(H,31,32)/p-1/t19-,21-,22+,23+,24+,25+,26+,28-,29-/m1/s1
InChIKeyURESBFJPXATWDO-QFCGGAEGSA-M
ChEBI Ontology
Outgoing Relation(s)
3β-hydroxy-5α-ergosta-7,24(28)-diene-4α-carboxylate (CHEBI:142850) is a steroid acid anion (CHEBI:50160)
3β-hydroxy-5α-ergosta-7,24(28)-diene-4α-carboxylate (CHEBI:142850) is conjugate base of 3β-hydroxy-5α-ergosta-7,24(28)-diene-4α-carboxylic acid (CHEBI:145340)
Incoming Relation(s)
3β-hydroxy-5α-ergosta-7,24(28)-diene-4α-carboxylic acid (CHEBI:145340) is conjugate acid of 3β-hydroxy-5α-ergosta-7,24(28)-diene-4α-carboxylate (CHEBI:142850)
IUPAC Name 
3β-hydroxy-5α-ergosta-7,24(28)-diene-4α-carboxylate
Synonyms  Source
(3β,4α,5α)-3-hydroxyergosta-7,24(28)-diene-4-carboxylateIUPAC
4α-carboxylato-ergosta-7,24(241)-dien-3β-olChEBI
UniProt Name  Source
4α-carboxy-ergosta-7,24(241)-dien-3β-olUniProt
Manual XrefsDatabases
CPD-12909MetaCyc
Citations