Feedback
omega-hydroxyphylloquinone
MNXM146423 is deprecated and here replaced by MNXM728829
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM728829 |
 |
| reference | chebi:78276 |
| formula | C31H46O3 |
| global charge | 0 |
| mol weight | 466.706 |
| InChIKey | RYJLHGDNDDQPAO-BHQHQDIUSA-N |
| InChI | InChI=1S/C31H46O3/c1-22(11-8-12-23(2)14-10-16-25(4)21-32)13-9-15-24(3)19-20-27-26(5)30(33)28-17-6-7-18-29(28)31(27)34/h6-7,17-19,22-23,25,32H,8-16,20-21H2,1-5H3/b24-19+/t22-,23+,25?/m1/s1 |
| SMILES | CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)CO)C(=O)C2=C(C=CC=C2)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C31H46O3/c1-22(11-8-12-23(2)14-10-16-25(4)21-32)13-9-15-24(3)19-20-27-26(5)30(33)28-17-6-7-18-29(28)31(27)34/h6-7,17-19,22-23,25,32H,8-16,20-21H2,1-5H3/b24-19+/t22-,23+,25?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:22]([CH2:11][CH2:8][CH2:12][C@H:23]([CH3:2])[CH2:14][CH2:10][CH2:16][CH:25]([CH3:4])[CH2:21][OH:32])[CH2:13][CH2:9][CH2:15]/[C:24]([CH3:3])=[CH:19]/[CH2:20][C:27]1=[C:26]([CH3:5])[C:30](=[O:33])[C:28]2=[CH:17][CH:6]=[CH:7][CH:18]=[C:29]2[C:31]1=[O:34] |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
1 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:78276
chebi:78276
RYJLHGDNDDQPAO-BHQHQDIUSA-N
| omega-hydroxyphylloquinone
2-[(2E,7R,11S)-16-hydroxy-3,7,11,15-tetramethylhexadec-2-en-1-yl]-3-methyl-1,4-naphthoquinone
|
SLM:000390034
slm:000390034
RYJLHGDNDDQPAO-BHQHQDIUSA-N
| omega-hydroxyphylloquinone
|