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4alpha-methylfecosterol

MNXM5006 is deprecated and here replaced by MNXM1371833
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371833 Image of MNXM1371833
referencechebi:80094
formulaC29H48O
global charge0
mol weight412.702
InChIKeyQLDNWJOJCDIMKK-XLFBYWHPSA-N
InChIInChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,27+,28-,29+/m1/s1
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C
MNX internals
InChI (mnx)InChI=1/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,27+,28-,29+/m1/s1 Image of MNXM1371833
SMILES (mnx)[CH3:1][CH:18]([CH3:2])[C:19](=[CH2:3])[CH2:8][CH2:9][C@@H:20]([CH3:4])[C@H:23]1[CH2:12][CH2:13][C@H:25]2[C:22]3=[C:26]([CH2:14][CH2:16][C@:28]12[CH3:6])[C@@:29]1([CH3:7])[CH2:17][CH2:15][C@H:27]([OH:30])[C@@H:21]([CH3:5])[C@@H:24]1[CH2:11][CH2:10]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80094
chebi:80094
QLDNWJOJCDIMKK-XLFBYWHPSA-N 		4alpha-methylfecosterol
4alpha-Methylfecosterol

kegg.compound:C15776
keggC:C15776
QLDNWJOJCDIMKK-XLFBYWHPSA-N 		4alpha-Methylfecosterol
hmdb:HMDB0006845
QLDNWJOJCDIMKK-XLFBYWHPSA-N 		4alpha-Methylfecosterol
(2S,5S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol
(3beta,4alpha,5alpha)-4-Methylergosta-8,24(28)-dien-3-ol
24,25-Dihydro-4alpha-methyl-24-methylenezymosterol
4 alpha-Methyl-5 alpha-ergosta-8,24(28)-dien-3 beta-ol
4a-Methylfecosterol
4alpha-methylfecosterol

lipidmaps:LMST01031019
lipidmapsM:LMST01031019
QLDNWJOJCDIMKK-XLFBYWHPSA-N 		4alpha-Methylfecosterol
4alpha-methyl-24-methylene-5a-cholest-8-en-3beta-ol
4alpha-methyl-5alpha-ergosta-8,24(28)-dien-3beta-ol
O
ST 29:2

seed.compound:cpd14513
seedM:cpd14513
QLDNWJOJCDIMKK-XLFBYWHPSA-N 		4alpha-Methylfecosterol
4alpha-methyl-5alpha-ergosta-8,14,24(28)-dien-3beta-ol
4alpha-methyl-5alpha-ergosta-8,24-dien-3beta-ol
4alpha-methylfecosterol

metacyc.compound:CPD-4081
metacycM:CPD-4081
QLDNWJOJCDIMKK-XLFBYWHPSA-N 		4alpha-methylfecosterol
4alpha-methyl-5alpha-ergosta-8,14,24(28)-dien-3beta-ol
4alpha-methyl-5alpha-ergosta-8,24-dien-3beta-ol

hmdb:HMDB0006925
hmdb:HMDB06845
hmdb:HMDB06925
keggC:M_C15776
seedM:M_cpd14513 		secondary/obsolete/fantasy identifier