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3-dehydro-4alpha-methylzymosterol

PropertiesImage
MNX_IDMNXM1371246 Image of MNXM1371246
referencechebi:136486
formulaC28H44O
global charge0
mol weight396.659
InChIKeyDBPZYKHQDWKORQ-SINUOACOSA-N
InChIInChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20+,22-,23+,24+,27-,28+/m1/s1
SMILESCC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3
MNX internals
InChI (mnx)InChI=1/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20+,22-,23+,24+,27-,28+/m1/s1 Image of MNXM1371246
SMILES (mnx)[CH3:1][C:18]([CH3:2])=[CH:8][CH2:7][CH2:9][C@@H:19]([CH3:3])[C@H:22]1[CH2:12][CH2:13][C@H:24]2[C:21]3=[C:25]([CH2:14][CH2:16][C@:27]12[CH3:5])[C@@:28]1([CH3:6])[CH2:17][CH2:15][C:26](=[O:29])[C@@H:20]([CH3:4])[C@@H:23]1[CH2:11][CH2:10]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 11
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136486
chebi:136486
DBPZYKHQDWKORQ-SINUOACOSA-N 		3-dehydro-4alpha-methylzymosterol
(4alpha,5alpha)-4-methylcholesta-8,24-dien-3-one
3-keto-4alpha-methyl-zymosterol
3-keto-4alpha-methylzymosterol
4alpha-methyl-5alpha-cholesta-8,24-dien-3-one

CHEBI:181923
chebi:181923
DBPZYKHQDWKORQ-PHTXCTJVSA-N 		(5S,10S,13R)-4,10,13-trimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

kegg.compound:C15816
keggC:C15816
DBPZYKHQDWKORQ-PHTXCTJVSA-N 		3-Keto-4-methylzymosterol
hmdb:HMDB0006838
DBPZYKHQDWKORQ-JQDPPCHWSA-N 		3-Keto-4-methylzymosterol
(2S,15R)-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)-en-5-one
(5a)-4-Methylcholesta-8,24-dien-3-one
(5alpha)-4-Methylcholesta-8,24-dien-3-one
3-Dehydro-4-methylzymosterol
4-Methyl-5a-cholesta-8,24-dien-3-one
4-Methyl-5alpha-cholesta-8,24-dien-3-one

seed.compound:cpd14552
seedM:cpd14552
DBPZYKHQDWKORQ-SINUOACOSA-N 		3-Keto-4-methylzymosterol
3-dehydro-4-methylzymosterol
3-keto-4-methylzymosterol
4alpha-methyl-5alpha-cholesta-8,24-dien-3-one

vmhM:HC02109
vmhmetabolite:HC02109
DBPZYKHQDWKORQ-JQDPPCHWSA-N 		3-Keto-4-methylzymosterol
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

SLM:000000316
slm:000000316
DBPZYKHQDWKORQ-MWEYQPRESA-N 		3-dehydro-4-methylzymosterol

reactome:R-ALL-194667
reactomeM:R-ALL-194667
CHEBI:50593
chebi:50593
DBPZYKHQDWKORQ-MWEYQPRESA-N 		3-dehydro-4-methylzymosterol
(5alpha)-4-methylcholesta-8,24-dien-3-one
3-Keto-4-methylzymosterol
4-methyl-5alpha-cholesta-8(9),24-dien-3-one
4-methyl-5alpha-cholesta-8,24-dien-3-one

lipidmaps:LMST01010167
lipidmapsM:LMST01010167
DBPZYKHQDWKORQ-MWEYQPRESA-N 		3-dehydro-4-methylzymosterol
(5alpha)-4-methylcholesta-8,24-dien-3-one
3-Keto-4-methylzymosterol
4-methyl-5alpha-cholesta-8,24-dien-3-one
O
ST 28:3

metacyc.compound:CPD-4578
metacycM:CPD-4578
DBPZYKHQDWKORQ-SINUOACOSA-N 		3-dehydro-4-methylzymosterol
3-keto-4-methylzymosterol
4alpha-methyl-5alpha-cholesta-8,24-dien-3-one

lipidmaps:LMST01010237
lipidmapsM:LMST01010237
DBPZYKHQDWKORQ-SINUOACOSA-N 		3-keto-4alpha-methyl-zymosterol
4alpha-methyl-5alpha-cholesta-8,24-dien-3-one
O
ST 28:3

bigg.metabolite:4mzym_int2
biggM:4mzym_int2
DBPZYKHQDWKORQ-PHTXCTJVSA-N 		4 Methylzymosterol intermediate 2

vmhM:4mzym_int2
vmhmetabolite:4mzym_int2
DBPZYKHQDWKORQ-JQDPPCHWSA-N 		4-Methylzymosterol intermediate 2
(2S,15R)-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)-en-5-one
hmdb:HMDB0000981
DBPZYKHQDWKORQ-SINUOACOSA-N 		4a-Methyl-5a-cholesta-8,24-dien-3-one
(2S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-one
(4a,5a)-4-Methylcholesta-8,24-dien-3-one
(4alpha,5alpha)-4-Methylcholesta-8,24-dien-3-one
(4alpha,5alpha)-4-methylcholesta-8,24-dien-3-one
3-Keto-4a-methyl-zymosterol
3-Keto-4a-methylzymosterol
3-Keto-4alpha-methyl-zymosterol
3-Keto-4alpha-methylzymosterol
4a-Methyl-(5a)-cholesta-8,24-dien-3-one
4alpha-Methyl-(5alpha)-cholesta-8,24-dien-3-one
4alpha-Methyl-5alpha-cholesta-8,24-dien-3-one
4alpha-methyl-(5alpha)-cholesta-8,24-dien-3-one

hmdb:HMDB0006923
hmdb:HMDB00981
hmdb:HMDB06838
hmdb:HMDB06923
biggM:M_4mzym_int2
keggC:M_C15816
seedM:M_cpd14552
vmhM:M_4mzym_int2
vmhM:M_HC02109 		secondary/obsolete/fantasy identifier