Search MNXref
 Feedback

4beta-methylzymosterol-4alpha-carboxylate

MNXM37762 is deprecated and here replaced by MNXM732410
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732410 Image of MNXM732410
referencechebi:64925
formulaC29H45O3
global charge-1
mol weight441.676
InChIKeyMYWAIWDQTCHPTH-LJAIZBFVSA-M
InChIInChI=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
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/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)/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1 Image of MNXM732410
SMILES (mnx)[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
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)21
in models (compartimentalized) 11
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64925
chebi:64925
MYWAIWDQTCHPTH-LJAIZBFVSA-M 		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
MYWAIWDQTCHPTH-YCIQJMEESA-N 		4 Methylzymosterol intermediate 1

vmhM:4mzym_int1
vmhmetabolite:4mzym_int1
MYWAIWDQTCHPTH-YCIQJMEESA-N 		4-Methylzymosterol intermediate 1
(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
hmdb:HMDB0001181
MYWAIWDQTCHPTH-YCIQJMEESA-N 		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
MYWAIWDQTCHPTH-YCIQJMEESA-N 		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
MYWAIWDQTCHPTH-YCIQJMEESA-N 		4alpha-Methylzymosterol-4-carboxylate
4alpha-Carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol

seed.compound:cpd14544
seedM:cpd14544
MYWAIWDQTCHPTH-LJAIZBFVSA-M 		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
MYWAIWDQTCHPTH-LJAIZBFVSA-N 		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
MYWAIWDQTCHPTH-LJAIZBFVSA-M 		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
MYWAIWDQTCHPTH-LJAIZBFVSA-N 		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
MYWAIWDQTCHPTH-LJAIZBFVSA-M 		4beta-methylzymosterol-4alpha-carboxylate

CHEBI:50591
chebi:50591
MYWAIWDQTCHPTH-LJAIZBFVSA-N 		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
vmhM:M_4mzym_int1 		secondary/obsolete/fantasy identifier