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hydroxysqualene
MNXM162476 is deprecated and here replaced by MNXM730370
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM730370 |
 |
| reference | chebi:88123 |
| formula | C30H50O |
| global charge | 0 |
| mol weight | 426.729 |
| InChIKey | IBTBZLYRNUPSAW-HWKIJRFISA-N |
| InChI | InChI=1S/C30H50O/c1-24(2)13-9-15-26(5)17-11-19-28(7)21-22-30(31)23-29(8)20-12-18-27(6)16-10-14-25(3)4/h13-14,17-18,21,23,30-31H,9-12,15-16,19-20,22H2,1-8H3/b26-17+,27-18+,28-21+,29-23+/t30-/m1/s1 |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H](O)/C=C(\C)CC/C=C(\C)CCC=C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C30H50O/c1-24(2)13-9-15-26(5)17-11-19-28(7)21-22-30(31)23-29(8)20-12-18-27(6)16-10-14-25(3)4/h13-14,17-18,21,23,30-31H,9-12,15-16,19-20,22H2,1-8H3/b26-17+,27-18+,28-21+,29-23+/t30-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:24]([CH3:2])=[CH:13][CH2:9][CH2:15]/[C:26]([CH3:5])=[CH:17]/[CH2:11][CH2:19]/[C:28]([CH3:7])=[CH:21]/[CH2:22][C@H:30](/[CH:23]=[C:29](\[CH3:8])[CH2:20][CH2:12]/[CH:18]=[C:27](\[CH3:6])[CH2:16][CH2:10][CH:14]=[C:25]([CH3:3])[CH3:4])[OH:31] |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 4 |
| in models (compartimentalized) |
0 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:88123
chebi:88123
IBTBZLYRNUPSAW-HWKIJRFISA-N
| hydroxysqualene
(12R)-hydroxysqualene
(6E,10E,12R,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-ol
(R)-12-hydroxysqualene
|
kegg.compound:C21116
keggC:C21116
IBTBZLYRNUPSAW-CEJSVNTQSA-N
| Hydroxysqualene
12-Hydroxysqualene
|
metacyc.compound:CPD-18508
metacycM:CPD-18508
seed.compound:cpd34385
seedM:cpd34385
IBTBZLYRNUPSAW-HWKIJRFISA-N
| hydroxysqualene
|
keggC:M_C21116
seedM:M_cpd34385
| secondary/obsolete/fantasy identifier
|