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3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene
MNXM97068 is deprecated and here replaced by MNXM741684
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM741684 |
 |
| reference | chebi:70861 |
| formula | C32H54 |
| global charge | 0 |
| mol weight | 438.784 |
| InChIKey | LYHFPFHWBXEUPX-AHFVBISTSA-N |
| InChI | InChI=1S/C32H54/c1-25(2)31(9)23-21-29(7)19-13-17-27(5)15-11-12-16-28(6)18-14-20-30(8)22-24-32(10)26(3)4/h15-16,19-20,31-32H,1,3,11-14,17-18,21-24H2,2,4-10H3/b27-15+,28-16+,29-19+,30-20+ |
| SMILES | C=C(C)C(C)CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC(C)C(=C)C |
MNX internals
| InChI (mnx) | InChI=1/C32H54/c1-25(2)31(9)23-21-29(7)19-13-17-27(5)15-11-12-16-28(6)18-14-20-30(8)22-24-32(10)26(3)4/h15-16,19-20,31-32H,1,3,11-14,17-18,21-24H2,2,4-10H3/b27-15+,28-16+,29-19+,30-20+/t31?,32? |
 |
| SMILES (mnx) | [CH2:1]=[C:25]([CH3:2])[CH:31]([CH3:9])[CH2:23][CH2:21]/[C:29]([CH3:7])=[CH:19]/[CH2:13][CH2:17]/[C:27]([CH3:5])=[CH:15]/[CH2:11][CH2:12]/[CH:16]=[C:28](\[CH3:6])[CH2:18][CH2:14]/[CH:20]=[C:30](\[CH3:8])[CH2:22][CH2:24][CH:32]([CH3:10])[C:26](=[CH2:3])[CH3:4] |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
0 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:70861
chebi:70861
LYHFPFHWBXEUPX-AHFVBISTSA-N
| 3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene
(6E,10E,14E,18E)-2,3,6,10,15,19,22,23-octamethyltetracosa-1,6,10,14,18,23-hexaene
|
seed.compound:cpd31092
seedM:cpd31092
kegg.compound:C20412
keggC:C20412
LYHFPFHWBXEUPX-AHFVBISTSA-N
| 3,22-Dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene
|
keggC:M_C20412
seedM:M_cpd31092
| secondary/obsolete/fantasy identifier
|