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(S)-2,3-epoxysqualene

PropertiesImage
MNX_IDMNXM727928 Image of MNXM727928
referencechebi:15441
formulaC30H50O
global charge0
mol weight426.729
InChIKeyQYIMSPSDBYKPPY-RSKUXYSASA-N
InChIInChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C
MNX internals
InChI (mnx)InChI=1/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1 Image of MNXM727928
SMILES (mnx)[CH3:1]/[C:24]([CH3:2])=[CH:14]/[CH2:11][CH2:17]/[C:27]([CH3:5])=[CH:20]/[CH2:12][CH2:18]/[C:25]([CH3:3])=[CH:15]/[CH2:9][CH2:10]/[CH:16]=[C:26](\[CH3:4])[CH2:19][CH2:13]/[CH:21]=[C:28](\[CH3:6])[CH2:22][CH2:23][C@H:29]1[C:30]([CH3:7])([CH3:8])[O:31]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)56
in models (compartimentalized) 24
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-191309
reactomeM:R-ALL-191309
CHEBI:15441
chebi:15441
QYIMSPSDBYKPPY-RSKUXYSASA-N 		(S)-2,3-epoxysqualene
(3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane
(3S)-2,3-dihydro-2,3-epoxysqualene
(3S)-2,3-epoxy-2,3-dihydrosqualene
(S)-2,3-Epoxysqualene
(S)-2,3-dihydro-2,3-epoxysqualene
(S)-2,3-epoxy-2,3-dihydrosqualene
(S)-2,3-oxidosqualene
(S)-Squalene-2,3-epoxide
(S)-squalene-2,3-epoxide
2,3-EDSQ
2,3-epoxisqualene
2,3-oxidosqualene
Squalene 2,3-epoxide
Squalene 2,3-oxide
oxidosqualene

metacyc.compound:EPOXYSQUALENE
metacycM:EPOXYSQUALENE
QYIMSPSDBYKPPY-RSKUXYSASA-N 		(3S)-2,3-epoxy-2,3-dihydrosqualene
(3S)-2,3-epoxysqualene
(S)-squalene-2,3-epoxide
2,3-EDSQ
2,3-epoxisqualene
2,3-oxidosqualene
oxidosqualene
squalene 2,3-epoxide
squalene 2,3-oxide
hmdb:HMDB0001188
QYIMSPSDBYKPPY-RSKUXYSASA-N 		(S)-2,3-Epoxysqualene
(+/-)-2,3-epoxysqualene
(+/-)-squalene oxide
(3R,S)-Oxidosqualene
(3S)-2,2-Dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethyl-3,7,11,15,19-heneicosapentaen-1-yl]oxirane
(3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane
(3S)-2,3-Dihydro-2,3-epoxysqualene
(3S)-2,3-Epoxy-2,3-dihydrosqualene
(3S)-2,3-Epoxysqualene
(3S)-2,3-Oxidosqualene
(3S)-Oxidosqualene
(3S)-Squalene-2,3-epoxide
(R,S)-Squalene 2,3-epoxide
(RS)-2,3-Epoxy-2,3-dihydrosqualene
(S)-2,3-Dihydro-2,3-epoxysqualene
(S)-2,3-Epoxy-2,3-dihydrosqualene
(S)-2,3-Oxidosqualene
(S)-Squalene 2,3-epoxide
(S)-Squalene-2,3-epoxide
2,3(S)-Oxidosqualene
2,3-EDSQ
2,3-Epoxisqualene
2,3-Epoxy-2,3-dihydrosqualene
2,3-Epoxysqualene
2,3-Oxidosqualene
2,3-Oxidosqualene, (R)-isomer
2,3-Oxidosqualene, (R-(all-e))-isomer
2,3-Oxidosqualene, (S)-isomer
2,3-Oxidosqualene, (S-(all-e))-isomer
2,3-Oxidosqualene, (all-e)-(+-)-isomer
3(S)-Oxidosqualene
Oxidosqualene
Squalene 2,3(S)-oxide
Squalene 2,3-epoxide
Squalene 2,3-oxide
Squalene epoxide
Squalene monohydroperoxide
Squalene oxide
Squalene peroxide
Squalene-2,3-epoxide
Squalene-2,3-oxide
Squslene oxide
squalene 2,3-oxide

kegg.compound:C01054
keggC:C01054
QYIMSPSDBYKPPY-RSKUXYSASA-N 		(S)-2,3-Epoxysqualene
(3S)-2,3-Epoxy-2,3-dihydrosqualene
(S)-Squalene-2,3-epoxide
2,3-Oxidosqualene
Squalene 2,3-epoxide
Squalene 2,3-oxide

sabiork.compound:5375
sabiorkM:5375
QYIMSPSDBYKPPY-RSKUXYSASA-N 		(S)-2,3-Epoxysqualene
(S)-2,3-Oxidosqualene
(S)-Squalene-2,3-epoxide
2,3-Oxidosqualene
Squalene 2,3-epoxide
Squalene 2,3-oxide

SLM:000000310
slm:000000310 		(S)-2,3-epoxysqualene

vmhM:Ssq23epx
vmhM:Ssq23epx
vmhmetabolite:Ssq23epx
vmhmetabolite:Ssq23epx
QYIMSPSDBYKPPY-RSKUXYSASA-N 		(S)-2,3-epoxysqualene
(+/-)-2,3-epoxysqualene
(+/-)-squalene oxide
(3R,S)-Oxidosqualene
(3S)-2,2-Dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethyl-3,7,11,15,19-heneicosapentaen-1-yl]oxirane
(3S)-2,3-Dihydro-2,3-epoxysqualene
(3S)-2,3-Epoxy-2,3-dihydrosqualene
(3S)-2,3-Epoxysqualene
(3S)-2,3-Oxidosqualene
(3S)-Oxidosqualene
(3S)-Squalene-2,3-epoxide
(R,S)-Squalene 2,3-epoxide
(RS)-2,3-Epoxy-2,3-dihydrosqualene
(S)-2,3-Dihydro-2,3-epoxysqualene
(S)-2,3-Epoxy-2,3-dihydrosqualene
(S)-2,3-Epoxysqualene
(S)-2,3-Oxidosqualene
(S)-Squalene 2,3-epoxide
(S)-Squalene-2,3-epoxide
2,3(S)-Oxidosqualene
2,3-EDSQ
2,3-Epoxisqualene
2,3-Epoxy-2,3-dihydrosqualene
2,3-Epoxysqualene
2,3-Oxidosqualene
2,3-Oxidosqualene, (R)-isomer
2,3-Oxidosqualene, (R-(all-e))-isomer
2,3-Oxidosqualene, (S)-isomer
2,3-Oxidosqualene, (S-(all-e))-isomer
2,3-Oxidosqualene, (all-e)-(+-)-isomer
3(S)-Oxidosqualene
Cellular membrane
Cucurbits
Cytoplasma
Digestion
Er
Extracellular region
Fauna
Flora
Gourds
Gramineae
Legume
Lipid metabolic process
Membrane integrity agent
Membrane stability agent
Oxidosqualene
Papilionoideae
Signal transduction
Soy
Soya
Soya bean
Soybean
Squalene 2,3(S)-oxide
Squalene 2,3-epoxide
Squalene 2,3-oxide
Squalene epoxide
Squalene monohydroperoxide
Squalene oxide
Squalene peroxide
Squalene-2,3-epoxide
Squalene-2,3-oxide
Squslene oxide
Surface-active agent

lipidmaps:LMPR0106010010
lipidmapsM:LMPR0106010010
QYIMSPSDBYKPPY-RSKUXYSASA-N 		3S-squalene-2,3-epoxide
(S)-2,3-epoxysqualene
2,3S-epoxy-2,6,10,15,19,23-hexamethyltetracosa-6E,10E,14E,18E,22-pentaene

bigg.metabolite:Ssq23epx
biggM:Ssq23epx
QYIMSPSDBYKPPY-RSKUXYSASA-N 		S Squalene 2 3 epoxide

seed.compound:cpd00776
seedM:cpd00776
QYIMSPSDBYKPPY-RSKUXYSASA-N 		Squalene 2,3-oxide
(3S)-2,3-Epoxy-2,3-dihydrosqualene
(3S)-2,3-epoxy-2,3-dihydrosqualene
(3S)-2,3-epoxysqualene
(S)-2,3-Epoxysqualene
(S)-Squalene-2,3-epoxide
(S)-squalene-2,3-epoxide
2,3-EDSQ
2,3-Oxidosqualene
2,3-epoxisqualene
2,3-oxidosqualene
Squalene 2,3-epoxide
Ssq23epx
oxidosqualene
squalene 2,3-epoxide
squalene 2,3-oxide

hmdb:HMDB0059621
hmdb:HMDB01188
hmdb:HMDB59621
chebi:11026
chebi:11072
chebi:18728
chebi:372
biggM:M_Ssq23epx
keggC:M_C01054
seedM:M_cpd00776
vmhM:M_Ssq23epx 		secondary/obsolete/fantasy identifier