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CHEBI:145340 - 3β-hydroxy-5α-ergosta-7,24(28)-diene-4α-carboxylic acid

Default Structure
ChEBI IDCHEBI:145340
ChEBI Name3β-hydroxy-5α-ergosta-7,24(28)-diene-4α-carboxylic acid
Stars
ASCII Name3beta-hydroxy-5alpha-ergosta-7,24(28)-diene-4alpha-carboxylic acid
DefinitionA steroid acid resulting from the formal oxidation of the formyl group of 4α-formyl-ergosta-7,24(28)-dien-3β-ol to the corresponding carboxylic acid.
Last Modified11 November 2019
SubmitterGareth Owen
DownloadsMolfile
FormulaC29H46O3
Net Charge0
Average Mass442.684
Monoisotopic Mass442.34470
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)/t19-,21-,22+,23+,24+,25+,26+,28-,29-/m1/s1
InChIKeyURESBFJPXATWDO-QFCGGAEGSA-N
ChEBI Ontology
Outgoing Relation(s)
3β-hydroxy-5α-ergosta-7,24(28)-diene-4α-carboxylic acid (CHEBI:145340) has functional parent 4α-formyl-ergosta-7,24(28)-dien-3β-ol (CHEBI:142849)
3β-hydroxy-5α-ergosta-7,24(28)-diene-4α-carboxylic acid (CHEBI:145340) is a steroid acid (CHEBI:47891)
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)
Incoming Relation(s)
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)
IUPAC Name 
3β-hydroxy-5α-ergosta-7,24(28)-diene-4α-carboxylic acid
Synonyms  Source
(3β,4α,5α)-3-hydroxyergosta-7,24(28)-diene-4-carboxylic acidIUPAC
4α-carboxy-ergosta-7,24(241)-dien-3β-olChEBI
Manual XrefsDatabases
CPD-12909MetaCyc
Citations