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(24R)-1alpha,24,25-Trihydroxyvitamin D2

PropertiesImage
MNX_IDMNXM9596 Image of MNXM9596
referencechebi:166748
formulaC28H44O4
global charge0
mol weight444.656
InChIKeyKRGCLKZOZQUAFK-ABEKVIRTSA-N
InChIInChI=1S/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25+,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)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28-/m1/s1 Image of MNXM9596
SMILES (mnx)[CH3:1][C@H:18](/[CH:13]=[CH:15]/[C@:28]([CH3:6])([C:26]([CH3:3])([CH3:4])[OH:31])[OH:32])[C@H:23]1[CH2:11][CH2:12][C@H:24]2/[C:20](=[CH:9]/[CH:10]=[C:21]3/[CH2:16][C@@H:22]([OH:29])[CH2:17][C@H:25]([OH:30])[C:19]3=[CH2:2])[CH2:8][CH2:7][CH2:14][C@:27]12[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:166748
chebi:166748
KRGCLKZOZQUAFK-ABEKVIRTSA-N 		(24R)-1alpha,24,25-Trihydroxyvitamin D2
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dihydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

lipidmaps:LMST03010051
lipidmapsM:LMST03010051
KRGCLKZOZQUAFK-ABEKVIRTSA-N 		(24R)-1alpha,24,25-trihydroxyvitamin D2
(24R)-1alpha,24,25-trihydroxyergocalciferol
(5Z,7E,22E)-(1S,3R,24R)-9,10-seco-5,7,10(19),22-ergostatetraene-1,3,24,25-tetrol
hmdb:HMDB0006227
KRGCLKZOZQUAFK-ABEKVIRTSA-N 		1-a,24R,25-Trihydroxyvitamin D2
(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dihydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-hexahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dihydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
(24R)-1a,24,25-Trihydroxyvitamin D2 / (24R)-1a,24,25-trihydroxyergocalciferol
(24R)-1alpha,24,25-Trihydroxyergocalciferol
(24R)-1alpha,24,25-Trihydroxyvitamin D2
(24R)-1alpha,24,25-trihydroxyvitamin D2 / (24R)-1alpha,24,25-trihydroxyergocalciferol
(5Z,7E,22E)-(1S,3R,24R)-9,10-Seco-5,7,10(19),22-ergostatetraene-1,3,24,25-tetrol
1,24,25-Trihydroxyergocalciferol
1,24,25-Trihydroxyvitamin D2
1-alpha,24R,25-Trihydroxyvitamin D2

bigg.metabolite:1a2425thvitd2
biggM:1a2425thvitd2
KRGCLKZOZQUAFK-ABEKVIRTSA-N 		1-alpha,24R,25-Trihydroxyvitamin D2

vmhM:1a2425thvitd2
vmhmetabolite:1a2425thvitd2
KRGCLKZOZQUAFK-ABEKVIRTSA-N 		1-alpha,24R,25-Trihydroxyvitamin D2
(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dihydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol

hmdb:HMDB06227
biggM:M_1a2425thvitd2
vmhM:M_1a2425thvitd2 		secondary/obsolete/fantasy identifier