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(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / (24R)-1alpha,24,25,26-tetrahydroxyergocalciferol

PropertiesImage
MNX_IDMNXM30716 Image of MNXM30716
referencechebi:168387
formulaC28H44O5
global charge0
mol weight460.655
InChIKeyJIKNSRWYDSGVIZ-SEDDFBIYSA-N
InChIInChI=1S/C28H44O5/c1-18(12-14-27(4,32)28(5,33)17-29)23-10-11-24-20(7-6-13-26(23,24)3)8-9-21-15-22(30)16-25(31)19(21)2/h8-9,12,14,18,22-25,29-33H,2,6-7,10-11,13,15-17H2,1,3-5H3/b14-12+,20-8+,21-9-/t18-,22-,23-,24+,25+,26-,27-,28?/m1/s1
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@](C)(O)C(C)(O)CO)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C28H44O5/c1-18(12-14-27(4,32)28(5,33)17-29)23-10-11-24-20(7-6-13-26(23,24)3)8-9-21-15-22(30)16-25(31)19(21)2/h8-9,12,14,18,22-25,29-33H,2,6-7,10-11,13,15-17H2,1,3-5H3/b14-12+,20-8+,21-9-/t18-,22-,23-,24+,25+,26-,27-,28?/m1/s1 Image of MNXM30716
SMILES (mnx)[CH3:1][C@H:18](/[CH:12]=[CH:14]/[C@:27]([CH3:4])([C:28]([CH3:5])([CH2:17][OH:29])[OH:33])[OH:32])[C@H:23]1[CH2:10][CH2:11][C@H:24]2/[C:20](=[CH:8]/[CH:9]=[C:21]3/[CH2:15][C@@H:22]([OH:30])[CH2:16][C@H:25]([OH:31])[C:19]3=[CH2:2])[CH2:7][CH2:6][CH2:13][C@:26]12[CH3:3]
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:168387
chebi:168387
JIKNSRWYDSGVIZ-SEDDFBIYSA-N 		(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / (24R)-1alpha,24,25,26-tetrahydroxyergocalciferol
(E,3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-ene-1,2,3-triol

lipidmaps:LMST03010054
lipidmapsM:LMST03010054
JIKNSRWYDSGVIZ-SEDDFBIYSA-N 		(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2
(24R)-1alpha,24,25,26-tetrahydroxyergocalciferol
(5Z,7E,22E)-(1S,3R,24R,25)-9,10-seco-5,7,10(19),22-ergostatetraene-1,3,24,25,26-pentol