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4alpha-carboxy-4beta-methyl-5alpha-cholest-8-en-3beta-ol

MNXM10246 is deprecated and here replaced by MNXM726067
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726067 Image of MNXM726067
referencechebi:87047
formulaC29H47O3
global charge-1
mol weight443.692
InChIKeyGLCDBDRQLZKKOJ-LJAIZBFVSA-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/h18-19,21-22,24-25,30H,7-17H2,1-6H3,(H,31,32)/p-1/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)[O-])[C@@H]1CC3
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/h18-19,21-22,24-25,30H,7-17H2,1-6H3,(H,31,32)/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1 Image of MNXM726067
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=[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
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87047
chebi:87047
GLCDBDRQLZKKOJ-LJAIZBFVSA-M 		4alpha-carboxy-4beta-methyl-5alpha-cholest-8-en-3beta-ol
(3beta,4alpha,5alpha)-3-hydroxy-4-methylcholest-8-ene-4-carboxylate
3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylate
4alpha-carboxy-4beta-methyl-5alpha-cholest-8-en-3beta-ol(1-)

CHEBI:87277
chebi:87277
GLCDBDRQLZKKOJ-LJAIZBFVSA-N 		3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylic acid
(3beta,4alpha,5alpha)-3-hydroxy-4-methylcholest-8-ene-4-carboxylic acid
4alpha-Carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
4alpha-carboxy-4beta-methyl-5alpha-cholest-8-en-3beta-ol

SLM:000485689
slm:000485689
GLCDBDRQLZKKOJ-LJAIZBFVSA-M 		4alpha-carboxy-4beta-methyl-5alpha-cholest-8-en-3beta-ol

metacyc.compound:CPD-8613
metacycM:CPD-8613
seed.compound:cpd25361
seedM:cpd25361
GLCDBDRQLZKKOJ-LJAIZBFVSA-M 		4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
hmdb:HMDB0062384
GLCDBDRQLZKKOJ-LJAIZBFVSA-N 		4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
(2S,5S,6S,7R,11R,14R,15R)-5-hydroxy-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-ene-6-carboxylic acid
3b-Hydroxy-4b-methyl-5a-cholest-8-ene-4a-carboxylate
3b-Hydroxy-4b-methyl-5a-cholest-8-ene-4a-carboxylic acid
3beta-Hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylate
3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylate
3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylic acid
4a-Carboxy-4b-methyl-5a-cholest-8-en-3b-ol
4a-Carboxy-4b-methyl-5a-cholesta-8-en-3b-ol
4alpha-Carboxy-4beta-methyl-5alpha-cholest-8-en-3beta-ol
4alpha-Carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
4alpha-carboxy-4beta-methyl-5alpha-cholest-8-en-3beta-ol

lipidmaps:LMST01010227
lipidmapsM:LMST01010227
GLCDBDRQLZKKOJ-LJAIZBFVSA-N 		4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
O3
ST 29:2

hmdb:HMDB62384
seedM:M_cpd25361 		secondary/obsolete/fantasy identifier