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

Properties

Image

Occurences in reactions

MNX_ID

MNXM9596

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	3

formula

C₂₈H₄₄O₄

charge

mass

444.32396

reference

chebi:166748

InChIKey

KRGCLKZOZQUAFK-ABEKVIRTSA-N

InChI

InChI=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

SMILES

C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@](C)(O)C(C)(C)O)C[C@@H](O)C[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:166748 chebi:166748	(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	(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	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	1-alpha,24R,25-Trihydroxyvitamin D2
hmdb:HMDB06227 biggM:M_1a2425thvitd2	secondary/obsolete/fantasy identifier