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zeta-carotene
MNXM1039 is deprecated and here replaced by MNXM726183
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM726183 |
 |
| reference | chebi:27362 |
| formula | C40H60 |
| global charge | 0 |
| mol weight | 540.92 |
| InChIKey | BIWLELKAFXRPDE-UHFFFAOYSA-N |
| InChI | InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3 |
| SMILES | CC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11?,25-15?,26-16?,35-21?,36-22?,37-27?,38-28?,39-29?,40-30? |
 |
| SMILES (mnx) | [CH3:1][C:33]([CH3:2])=[CH:19][CH2:13][CH2:23][C:37]([CH3:7])=[CH:27][CH2:17][CH2:31][C:39]([CH3:9])=[CH:29][CH:15]=[CH:25][C:35]([CH3:5])=[CH:21][CH:11]=[CH:12][CH:22]=[C:36]([CH3:6])[CH:26]=[CH:16][CH:30]=[C:40]([CH3:10])[CH2:32][CH2:18][CH:28]=[C:38]([CH3:8])[CH2:24][CH2:14][CH:20]=[C:34]([CH3:3])[CH3:4] |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 3 |
| in models (compartimentalized) |
0 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:27362
chebi:27362
BIWLELKAFXRPDE-UHFFFAOYSA-N
| zeta-carotene
2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene
|
sabiork.compound:7904
sabiorkM:7904
BIWLELKAFXRPDE-UHFFFAOYSA-N
| zeta-Carotene
|