3beta-hydroxy-9beta-9,19-cyclolanost-24-en-28-oic acid (CHEBI:145728)

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CHEBI:145728 - 3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oic acid

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ChEBI ID	CHEBI:145728
ChEBI Name	3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oic acid
Stars
ASCII Name	3beta-hydroxy-9beta-9,19-cyclolanost-24-en-28-oic acid
Definition	A steroid acid that is 4β,14-dimethyl-5α,9β-9,19-cyclocholest-24-en-3β-ol in which the 4α hydrogen has been replaced by a carboxy group.
Last Modified	27 February 2024
Submitter	Gareth Owen
Downloads	Molfile

Formula	C30H48O3
Net Charge	0
Average Mass	456.711
Monoisotopic Mass	456.36035
SMILES	[H][C@@]12CC[C@]3([H])[C@@]4(CC[C@H](O)[C@@]3(C)C(=O)O)C[C@@]14CC[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)CCC=C(C)C
InChI	InChI=1S/C30H48O3/c1-19(2)8-7-9-20(3)21-12-14-27(5)22-10-11-23-28(6,25(32)33)24(31)13-15-29(23)18-30(22,29)17-16-26(21,27)4/h8,20-24,31H,7,9-18H2,1-6H3,(H,32,33)/t20-,21-,22+,23+,24+,26-,27+,28+,29-,30+/m1/s1
InChIKey	GHMALMMXVUBOFV-TWOGUOSYSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oic acid (CHEBI:145728) has parent hydride lanostane (CHEBI:20265)
	3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oic acid (CHEBI:145728) is a 3β-hydroxy steroid (CHEBI:36836)
	3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oic acid (CHEBI:145728) is a 3β-sterol (CHEBI:35348)
	3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oic acid (CHEBI:145728) is a cyclopropanes (CHEBI:51454)
	3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oic acid (CHEBI:145728) is a monocarboxylic acid (CHEBI:25384)
	3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oic acid (CHEBI:145728) is a pentacyclic triterpenoid (CHEBI:25872)
	3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oic acid (CHEBI:145728) is a phytosterols (CHEBI:26125)
	3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oic acid (CHEBI:145728) is a steroid acid (CHEBI:47891)
	3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oic acid (CHEBI:145728) is conjugate acid of 3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oate (CHEBI:142846)
Incoming Relation(s)
Incoming Relation(s)	3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oate (CHEBI:142846) is conjugate base of 3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oic acid (CHEBI:145728)

IUPAC Name
3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oic acid

Synonym	Source
4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-cholest-24-en-3β-ol	ChEBI

Manual Xrefs	Databases
CPD-12919	MetaCyc

Citations