Search MNXref
 Feedback

4alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol

PropertiesImage
MNX_IDMNXM10244 Image of MNXM10244
referencechebi:142846
formulaC30H47O3
global charge-1
mol weight455.703
InChIKeyGHMALMMXVUBOFV-TWOGUOSYSA-M
InChIInChI=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)/p-1/t20-,21-,22+,23+,24+,26-,27+,28+,29-,30+/m1/s1
SMILESCC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)[O-])[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM10244
SMILES (mnx)[CH3:1][C:19]([CH3:2])=[CH:8][CH2:7][CH2:9][C@@H:20]([CH3:3])[C@H:21]1[CH2:12][CH2:14][C@@:27]2([CH3:5])[C@@H:22]3[CH2:10][CH2:11][C@H:23]4[C@:28]([CH3:6])([C:25](=[O:32])[OH:33])[C@@H:24]([OH:31])[CH2:13][CH2:15][C@@:29]45[CH2:18][C@@:30]35[CH2:17][CH2:16][C@:26]12[CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:142846
chebi:142846
GHMALMMXVUBOFV-TWOGUOSYSA-M 		4alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol
3beta-hydroxy-9beta-9,19-cyclolanost-24-en-28-oate
4alpha-carboxylato-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol

metacyc.compound:CPD-23708
metacycM:CPD-23708
GHMALMMXVUBOFV-TWOGUOSYSA-M 		(3beta,9beta)-4alpha-demethyl-4alpha-carboxy-9,19-cyclolanost-24-en-3-ol

CHEBI:145728
chebi:145728
GHMALMMXVUBOFV-TWOGUOSYSA-N 		3beta-hydroxy-9beta-9,19-cyclolanost-24-en-28-oic acid
4alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol

seed.compound:cpd23640
seedM:cpd23640
GHMALMMXVUBOFV-HILGRQLYSA-M 		4alpha-carboxy,4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol
(3beta,4alpha)-3-hydroxy-9,19-cyclolanost-24-en-28-oic acid
9,19-cyclolanost-24-en-28-oic acid, 3-hydroxy-, (3beta,4alpha)-

seedM:M_cpd23640 		secondary/obsolete/fantasy identifier