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5,6-trans-vitamin D3

Properties Image Occurences in reactions MNX_ID MNXM1365428 #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 0 formula C27H44O charge 0 mass 384.648 reference chebi:145213 InChIKey QYSXJUFSXHHAJI-FVUVGDFOSA-N InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13+/t21-,24+,25-,26+,27-/m1/s1 SMILES [CH3:1][CH:19]([CH3:2])[CH2:8][CH2:6][CH2:9][C@@H:21]([CH3:4])[C@H:25]1[CH2:15][CH2:16][C@H:26]2/[C:22](=[CH:12]/[CH:13]=[C:23]3\[CH2:18][C@@H:24]([OH:28])[CH2:14][CH2:11][C:20]3=[CH2:3])[CH2:10][CH2:7][CH2:17][C@:27]12[CH3:5]

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Similar chemical compounds in external resources

Identifier	Description
CHEBI:145213 chebi:145213	5,6-trans-vitamin D3 (3S,5E,7E)-9,10-secocholesta-5,7,10-trien-3-ol (3beta,5E,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol (5E)-calciol (5E)-cholecalciferol (5E)-vitamin D3 (5E,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-3-ol (E,E)-9,10-secocholesta-5,7,10(19)-trien-3beta-ol 5,6-trans-cholecalciferol cholecalciferol EP impurity A trans-vitamin D3
lipidmaps:LMST03020220 lipidmapsM:LMST03020220	(5E)-vitamin D3 / (5E)-cholecalciferol / (5E)-calciol (5E,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-3-ol
hmdb:HMDB0006719	5,6-trans-Vitamin D3 (1S,3E)-3-{2-[(1R,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol 3-[(2E)-2-[(1R,3AS,7ar)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol 5,6-trans-Cholecalciferol trans-Vitamin D3 trans-vitamin D3
seed.compound:cpd03226 seedM:cpd03226	Vitamin D3 Calciol Cholecalciferol calciol cholecalciferol vitamin D3
hmdb:HMDB06719 seedM:M_cpd03226	secondary/obsolete/fantasy identifier