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4,4'-diapophytoene
MNXM1353 is deprecated and here replaced by MNXM728145
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM728145 |
 |
| reference | chebi:62736 |
| formula | C30H48 |
| global charge | 0 |
| mol weight | 408.714 |
| InChIKey | NXJJBCPAGHGVJC-UHFFFAOYSA-N |
| InChI | InChI=1S/C30H48/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-18,23-24H,11-14,19-22H2,1-8H3 |
| SMILES | CC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C30H48/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-18,23-24H,11-14,19-22H2,1-8H3/b10-9?,27-17?,28-18?,29-23?,30-24? |
 |
| SMILES (mnx) | [CH3:1][C:25]([CH3:2])=[CH:15][CH2:11][CH2:19][C:29]([CH3:7])=[CH:23][CH2:13][CH2:21][C:27]([CH3:5])=[CH:17][CH:9]=[CH:10][CH:18]=[C:28]([CH3:6])[CH2:22][CH2:14][CH:24]=[C:30]([CH3:8])[CH2:20][CH2:12][CH:16]=[C:26]([CH3:3])[CH3:4] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:62736
chebi:62736
NXJJBCPAGHGVJC-UHFFFAOYSA-N
| 4,4'-diapophytoene
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,12,14,18,22-heptaene
dehydrosqualene
|
sabiork.compound:28311
sabiorkM:28311
NXJJBCPAGHGVJC-UHFFFAOYSA-N
| 4,4'-Diapophytoene
|