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4beta-methylzymosterol-4alpha-carbaldehyde

MNXM6905 is deprecated and here replaced by MNXM739477
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM739477 Image of MNXM739477
referencechebi:87287
formulaC29H46O2
global charge0
mol weight426.685
InChIKeyGFGANDKVOKQAGH-WKYRUEGDSA-N
InChIInChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h8,18,20,22-23,25-26,31H,7,9-17H2,1-6H3/t20-,22-,23+,25-,26+,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)[C@@H]1CC3
MNX internals
InChI (mnx)InChI=1/C29H46O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h8,18,20,22-23,25-26,31H,7,9-17H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29+/m1/s1 Image of MNXM739477
SMILES (mnx)[CH3:1][C:19]([CH3:2])=[CH:8][CH2:7][CH2:9][C@@H:20]([CH3:3])[C@H:22]1[CH2:11][CH2:12][C@H:23]2[C:21]3=[C:24]([CH2:14][CH2:16][C@:27]12[CH3:4])[C@@:28]1([CH3:5])[CH2:17][CH2:15][C@H:26]([OH:31])[C@@:29]([CH3:6])([CH:18]=[O:30])[C@@H:25]1[CH2:13][CH2:10]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)14
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87287
chebi:87287
GFGANDKVOKQAGH-WKYRUEGDSA-N 		4beta-methylzymosterol-4alpha-carbaldehyde
(3beta,4alpha,5alpha)-3-hydroxy-4-methylcholesta-8,24-diene-4-carbaldehyde
3beta-hydroxy-4-methyl-5alpha-cholesta-8,24-diene-4alpha-carbaldehyde
4alpha-formyl-4-methylzymosterol
4beta-methylzymosterol-4-carbaldehyde

metacyc.compound:CPD-4576
metacycM:CPD-4576
seed.compound:cpd24504
seedM:cpd24504
SLM:000485694
slm:000485694
GFGANDKVOKQAGH-WKYRUEGDSA-N 		4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
hmdb:HMDB0062387
GFGANDKVOKQAGH-WKYRUEGDSA-N 		4alpha-formyl-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[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-ene-6-carbaldehyde
(3b,4a,5a)-3-Hydroxy-4-methylcholesta-8,24-diene-4-carbaldehyde
(3beta,4alpha,5alpha)-3-Hydroxy-4-methylcholesta-8,24-diene-4-carbaldehyde
(3beta,4alpha,5alpha)-3-hydroxy-4-methylcholesta-8,24-diene-4-carbaldehyde
4a-Formyl-4-methylzymosterol
4a-Formyl-4b-methyl-5a-cholesta-8,24-dien-3b-ol
4alpha-Formyl-4-methylzymosterol
4alpha-Formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
4alpha-formyl-4-methylzymosterol
4b-Methylzymosterol-4-carbaldehyde
4beta-methylzymosterol-4-carbaldehyde

lipidmaps:LMST01010229
lipidmapsM:LMST01010229
GFGANDKVOKQAGH-WKYRUEGDSA-N 		4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
O2
ST 29:3

hmdb:HMDB62387
seedM:M_cpd24504 		secondary/obsolete/fantasy identifier