Search MNXref
 Feedback

5,6-trans-Vitamin D2

MNXM31270 is deprecated and here replaced by MNXM1369039
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1369039 Image of MNXM1369039
referencechebi:181420
formulaC28H44O
global charge0
mol weight396.659
InChIKeyMECHNRXZTMCUDQ-VLOQVYPSSA-N
InChIInChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13+/t20-,22+,25-,26+,27-,28+/m0/s1
SMILESC=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13+/t20-,22+,25-,26+,27-,28+/m0/s1 Image of MNXM1369039
SMILES (mnx)[CH3:1][CH:19]([CH3:2])[C@@H:20]([CH3:3])/[CH:9]=[CH:10]/[C@@H:22]([CH3:5])[C@H:26]1[CH2:15][CH2:16][C@H:27]2/[C:23](=[CH:12]/[CH:13]=[C:24]3\[CH2:18][C@@H:25]([OH:29])[CH2:14][CH2:11][C:21]3=[CH2:4])[CH2:8][CH2:7][CH2:17][C@:28]12[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:181420
chebi:181420
MECHNRXZTMCUDQ-VLOQVYPSSA-N 		5,6-trans-Vitamin D2
(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

lipidmaps:LMST03010014
lipidmapsM:LMST03010014
MECHNRXZTMCUDQ-VLOQVYPSSA-N 		(5E)-vitamin D2
(5E)-ercalciol
(5E)-ergocalciferol
(5E,7E,22E)-(3S)-9,10-seco-5,7,10(19),22-ergostatetraen-3-ol
5,6-trans-vitamin D2