4alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(24(1))-en-3beta-ol(1-) (CHEBI:142916)

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CHEBI:142916 - 4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(24¹)-en-3β-ol(1−)

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ChEBI ID	CHEBI:142916
ChEBI Name	4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(24¹)-en-3β-ol(1−)
Stars
ASCII Name	4alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(24(1))-en-3beta-ol(1-)
Definition	Major species at pH 7.3
Last Modified	27 February 2024
Submitter	Anne Morgat
Downloads	Molfile

Formula	C31H49O3
Net Charge	-1
Average Mass	469.730
Monoisotopic Mass	469.36872
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)C
InChI	InChI=1S/C31H50O3/c1-19(2)20(3)8-9-21(4)22-12-14-28(6)23-10-11-24-29(7,26(33)34)25(32)13-15-30(24)18-31(23,30)17-16-27(22,28)5/h19,21-25,32H,3,8-18H2,1-2,4-7H3,(H,33,34)/p-1/t21-,22-,23+,24+,25+,27-,28+,29+,30-,31+/m1/s1
InChIKey	RLRGKMMFFVWPHT-NUYPAGBLSA-M

ChEBI Ontology

Outgoing Relation(s)
	4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(24¹)-en-3β-ol(1−) (CHEBI:142916) is a steroid acid anion (CHEBI:50160)

UniProt Name	Source
4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(24¹)-en-3β-ol	UniProt

Manual Xrefs	Databases
CPD-12867	MetaCyc

Citations