Feedback

4beta-methylzymosterol-4alpha-carboxylate

MNXM7449 is deprecated and here replaced by MNXM732410
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM732410

	#reac
in my sandbox	0
in MNXref (generic)	21
in models (compartimentalized)	12

formula

C₂₉H₄₅O₃

charge

-1

mass

441.33742

reference

chebi:64925

InChIKey

MYWAIWDQTCHPTH-LJAIZBFVSA-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

CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)[O-])[C@@H]1CC3

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:64925 chebi:64925	4beta-methylzymosterol-4alpha-carboxylate (3beta,4alpha,5alpha)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylate 3beta-hydroxy-4-methyl-5alpha-cholesta-8,24-diene-4alpha-carboxylate 4alpha-carboxylato-4beta-methyl-zymosterol 4beta-methylzymosterol-4alpha-carboxylate(1-)
bigg.metabolite:4mzym_int1 biggM:4mzym_int1	4 Methylzymosterol intermediate 1
hmdb:HMDB0001181	4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol (2S,5S,6S,7R,15R)-5-hydroxy-2,6,15-trimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-ene-6-carboxylic acid 4a-Methylzymosterol-4-carboxylate 4a-Methylzymosterol-4-carboxylic acid 4alpha-Carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol 4alpha-Methylzymosterol-4-carboxylic acid 4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol 4alpha-methylzymosterol-4-carboxylate 4alpha-methylzymosterol-4-carboxylic acid
CHEBI:168659 chebi:168659	4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol (3S,4S,5R,10S,13R)-3-hydroxy-4,10,13-trimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carboxylic acid
kegg.compound:C15808 keggC:C15808	4alpha-Methylzymosterol-4-carboxylate 4alpha-Carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
seed.compound:cpd14544 seedM:cpd14544	4alpha-Methylzymosterol-4-carboxylate 4alpha-Carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol 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:HMDB0062383	4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol (2S,5S,6S,7R,11R,14R,15R)-5-hydroxy-2,6,15-trimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-ene-6-carboxylic acid (3b,4a,5a)-3-Hydroxy-4-methylcholesta-8,24-diene-4-carboxylate (3b,4a,5a)-3-Hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid (3beta,4alpha,5alpha)-3-Hydroxy-4-methylcholesta-8,24-diene-4-carboxylate (3beta,4alpha,5alpha)-3-Hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid (3beta,4alpha,5alpha)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylate (3beta,4alpha,5alpha)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid 4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol 4a-Carboxy-4b-methyl-cholesta-8,24-dien-3b-ol 4a-Carboxy-4b-methyl-zymosterol 4alpha-Carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol 4alpha-Carboxy-4beta-methyl-cholesta-8,24-dien-3beta-ol 4alpha-Carboxy-4beta-methyl-zymosterol 4alpha-carboxy-4beta-methyl-cholesta-8,24-dien-3beta-ol 4alpha-carboxy-4beta-methyl-zymosterol
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
lipidmaps:LMST01010388 lipidmapsM:LMST01010388	4beta-methyl-zymosterol-4alpha-carboxylic acid 3beta-hydroxy-4-methyl-5alpha-cholesta-8,24-diene-4alpha-carboxylic acid O3 ST 29:3
SLM:000000315 slm:000000315	4beta-methylzymosterol-4alpha-carboxylate
CHEBI:50591 chebi:50591	4beta-methylzymosterol-4alpha-carboxylic acid (3beta,4alpha,5alpha)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid 3beta-hydroxy-4-methyl-5alpha-cholesta-8,24-diene-4alpha-carboxylic acid 4alpha-Carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol 4alpha-carboxy-4beta-methyl-cholesta-8,24-dien-3beta-ol 4alpha-carboxy-4beta-methyl-zymosterol
hmdb:HMDB01181 hmdb:HMDB62383 biggM:M_4mzym_int1 keggC:M_C15808 seedM:M_cpd14544	secondary/obsolete/fantasy identifier