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3-methyl-1,2-didehydro-2,3-dihydrosqualene
MNXM97058 is deprecated and here replaced by MNXM741673
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM741673 |
 |
| reference | chebi:70860 |
| formula | C31H52 |
| global charge | 0 |
| mol weight | 424.757 |
| InChIKey | ANCCRFGXJYBRIW-SKQHXPRYSA-N |
| InChI | InChI=1S/C31H52/c1-25(2)15-12-18-29(7)21-13-19-27(5)16-10-11-17-28(6)20-14-22-30(8)23-24-31(9)26(3)4/h15-17,21-22,31H,3,10-14,18-20,23-24H2,1-2,4-9H3/b27-16+,28-17+,29-21+,30-22+ |
| 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 |
MNX internals
| InChI (mnx) | InChI=1/C31H52/c1-25(2)15-12-18-29(7)21-13-19-27(5)16-10-11-17-28(6)20-14-22-30(8)23-24-31(9)26(3)4/h15-17,21-22,31H,3,10-14,18-20,23-24H2,1-2,4-9H3/b27-16+,28-17+,29-21+,30-22+/t31? |
 |
| SMILES (mnx) | [CH3:1][C:25]([CH3:2])=[CH:15][CH2:12][CH2:18]/[C:29]([CH3:7])=[CH:21]/[CH2:13][CH2:19]/[C:27]([CH3:5])=[CH:16]/[CH2:10][CH2:11]/[CH:17]=[C:28](\[CH3:6])[CH2:20][CH2:14]/[CH:22]=[C:30](\[CH3:8])[CH2:23][CH2:24][CH:31]([CH3:9])[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:70860
chebi:70860
ANCCRFGXJYBRIW-SKQHXPRYSA-N
| 3-methyl-1,2-didehydro-2,3-dihydrosqualene
(6E,10E,14E,18E)-2,3,6,10,15,19,23-heptamethyltetracosa-1,6,10,14,18,22-hexaene
|
seed.compound:cpd31091
seedM:cpd31091
kegg.compound:C20411
keggC:C20411
ANCCRFGXJYBRIW-SKQHXPRYSA-N
| 3-Methyl-1,2-didehydro-2,3-dihydrosqualene
|
keggC:M_C20411
seedM:M_cpd31091
| secondary/obsolete/fantasy identifier
|