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4alpha-carboxy-4beta-methyl-5alpha-cholest-7-ene-3beta-ol

MNXM853 is deprecated and here replaced by MNXM740839
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM740839 Image of MNXM740839
referencechebi:58387
formulaC29H47O3
global charge-1
mol weight443.692
InChIKeyUQFZKTIHSICSPG-DSHYQQBWSA-M
InChIInChI=1S/C29H48O3/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/h10,18-19,21-25,30H,7-9,11-17H2,1-6H3,(H,31,32)/p-1/t19-,21-,22+,23+,24-,25+,27-,28-,29+/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@](C)(CC[C@H](O)[C@@]4(C)C(=O)[O-])[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C29H48O3/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/h10,18-19,21-25,30H,7-9,11-17H2,1-6H3,(H,31,32)/t19-,21-,22+,23+,24-,25+,27-,28-,29+/m1/s1 Image of MNXM740839
SMILES (mnx)[CH3:1][CH:18]([CH3:2])[CH2:8][CH2:7][CH2:9][C@@H:19]([CH3:3])[C@H:21]1[CH2:11][CH2:12][C@H:22]2[C:20]3=[CH:10][CH2:13][C@@H:24]4[C@:28]([CH3:5])([CH2:17][CH2:15][C@H:25]([OH:30])[C@@:29]4([CH3:6])[C:26](=[O:31])[OH:32])[C@H:23]3[CH2:14][CH2:16][C@:27]12[CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)19
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58387
chebi:58387
UQFZKTIHSICSPG-DSHYQQBWSA-M 		4alpha-carboxy-4beta-methyl-5alpha-cholest-7-ene-3beta-ol
(3beta,4alpha,5alpha)-3-hydroxy-4-methylcholest-7-ene-4-carboxylate
3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate

sabiork.compound:7609
sabiorkM:7609
kegg.compound:C04840
keggC:C04840
UQFZKTIHSICSPG-DSHYQQBWSA-N 		3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate

seed.compound:cpd02939
seedM:cpd02939
UQFZKTIHSICSPG-DSHYQQBWSA-M 		3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate
17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid
3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate

metacyc.compound:CPD-5846
metacycM:CPD-5846
UQFZKTIHSICSPG-DSHYQQBWSA-M 		3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate
17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid

CHEBI:18134
chebi:18134
UQFZKTIHSICSPG-DSHYQQBWSA-N 		3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid
3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate

lipidmaps:LMST01010175
lipidmapsM:LMST01010175
UQFZKTIHSICSPG-DSHYQQBWSA-N 		3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid
3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate
3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid
O3
ST 29:2

chebi:11908
chebi:1719
keggC:M_C04840
seedM:M_cpd02939 		secondary/obsolete/fantasy identifier