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4beta-carboxy-4alpha-methyl-5alpha-cholesta-8,24-dien-3beta-ol

Properties

Image

Occurences in reactions

MNX_ID

MNXM1377090

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₂₉H₄₅O₃

charge

-1

mass

441.676

reference

chebi:143574

InChIKey

MYWAIWDQTCHPTH-USCJBPCASA-M

InChI

InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/p-1/t19-,21-,22+,24-,25+,27-,28-,29-/m1/s1

SMILES

[CH3:1][C:18]([CH3:2])=[CH:8][CH2:7][CH2:9][C@@H:19]([CH3:3])[C@H:21]1[CH2:11][CH2:12][C@H:22]2[C:20]3=[C:23]([CH2:14][CH2:16][C@:27]12[CH3:4])[C@@:28]1([CH3:5])[CH2:17][CH2:15][C@H:25]([OH:30])[C@:29]([CH3:6])([C:26](=[O:31])[OH:32])[C@@H:24]1[CH2:13][CH2:10]3

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:143574 chebi:143574	4beta-carboxy-4alpha-methyl-5alpha-cholesta-8,24-dien-3beta-ol 3beta-hydroxy-4alpha-methyl-5alpha-cholesta-8,24-diene-4beta-carboxylate 4beta-carboxy-4alpha-methyl-5alpha-cholesta-8,24-dien-3beta-ol(1-)
CHEBI:145310 chebi:145310	3beta-hydroxy-4alpha-methyl-5alpha-cholesta-8,24-diene-4beta-carboxylic acid
metacyc.compound:CPD-4577 metacycM:CPD-4577	4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol 4beta-methyl-4alpha-carboxy-cholesta-8,24-dien-3beta-ol 4beta-methylzymosterol-4alpha-carboxylate
hmdb:HMDB0304191	4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol 5-hydroxy-2,6,15-trimethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-ene-6-carboxylate
metacyc.compound:CPD-21730 metacycM:CPD-21730	4beta-carboxy-4alpha-methyl-5alpha-cholesta-8,24-dien-3beta-ol 4alpha-methylzymosterol-4beta-carboxylate