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

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ChEBI Name 3β-hydroxy-5α-ergosta-7,24(28)-diene-4α-carboxylic acid
ChEBI ID CHEBI:145340
ChEBI ASCII Name 3beta-hydroxy-5alpha-ergosta-7,24(28)-diene-4alpha-carboxylic acid
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H46O3
Net Charge 0
Average Mass 442.684
Monoisotopic Mass 442.34470
InChI InChI=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
InChIKey URESBFJPXATWDO-QFCGGAEGSA-N
SMILES C1[C@@]2([C@]3(CC[C@]4([C@](C3=CC[C@]2([C@@H]([C@H](C1)O)C(=O)O)[H])(CC[C@@]4([C@@H](CCC(C(C)C)=C)C)[H])[H])C)[H])C
ChEBI Ontology
Outgoing 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 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 Sources
(3β,4α,5α)-3-hydroxyergosta-7,24(28)-diene-4-carboxylic acid IUPAC
4α-carboxy-ergosta-7,24(241)-dien-3β-ol ChEBI
Manual Xref Database
CPD-12909 MetaCyc
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Citations Waiting for Citations Types Sources
14653780 PubMed citation SUBMITTER
8505296 PubMed citation SUBMITTER
Last Modified
11 November 2019