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calcidiol

MNXM162388 is deprecated and here replaced by MNXM730310
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM730310

	#reac
in my sandbox	0
in MNXref (generic)	21
in models (compartimentalized)	20

formula

C₂₇H₄₄O₂

charge

mass

400.33413

reference

chebi:17933

InChIKey

JWUBBDSIWDLEOM-DTOXIADCSA-N

InChI

InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1

SMILES

C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-209804 reactomeM:R-ALL-209804 reactome:R-ALL-209906 reactomeM:R-ALL-209906 reactome:R-ALL-350136 reactomeM:R-ALL-350136 CHEBI:17933 chebi:17933	calcidiol (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol (3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,25-diol (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol 25(OH)D3 25-Hydroxyvitamin D3 25-hydroxycholecalciferol 25-hydroxyvitamin D3 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL Calcidiol Calcifediol Calcifediol anhydrous Rayaldee calcifediol calcifediolum
bigg.metabolite:25hvitd3 biggM:25hvitd3	25-Hydroxyvitamin D3
lipidmaps:LMST03020246 lipidmapsM:LMST03020246	25-hydroxyvitamin D3 / 25-hydroxycholecalciferol / calcidiol (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol
SLM:000000474 slm:000000474	Calcidiol
hmdb:HMDB0003550	Calcidiol (1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol (3S,5Z,7E)-9,10-Seco-5,7,10(19)-cholestatriene-3,25-diol (3S,5Z,7E)-9,10-Secocholesta-5,7,10-triene-3,25-diol (3b,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-3,25-diol (3beta,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-3,25-diol (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol (5Z,7E)-(3S)-9,10-Secocholesta-5,7,10(19)-triene-3,25-diol 25 Hydroxycholecalciferol 25 Hydroxycholecalciferol monohydrate 25 Hydroxyvitamin D 3 25 Hydroxyvitamin D3 25(OH)D3 25-Hydroxy-cholecalciferol 25-Hydroxycholecalciferol 25-Hydroxycholecalciferol monohydrate 25-Hydroxyvitamin D 3 25-Hydroxyvitamin D3 25-hydroxyvitamin D3 3-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexanol 5,6-cis-25-Hydroxyvitamin D3 9,10-Secocholesta-5,7,10(19)-triene-3b,25-diol Anhydrous, calcifediol Aventis brand OF calcifediol Calcifediol Calcifediol anhydrous Calcifediol aventis brand Calcifediol faes brand Calcifediol organon brand Calcifediol, (3 alpha,5Z,7E)-isomer Calcifediol, (3 beta,5E,7E)-isomer Calcifediolum Calderol Dedrogyl Didrogyl Faes brand OF calcifediol Hidroferol Monohydrate, 25-hydroxycholecalciferol Organon brand OF calcifediol Rayaldee
kegg.compound:C01561 keggC:C01561	Calcidiol (3S,5Z,7E)-9,10-Seco-5,7,10(19)-cholestatriene-3,25-diol 25-Hydroxyvitamin D3 Calcifediol Calcifediol anhydrous
sabiork.compound:5664 sabiorkM:5664	Calcidiol 25-Hydroxycholecalciferol 25-Hydroxyvitamin D3 Calcifediol Calcifediol anhydrous
hmdb:HMDB0005997 hmdb:HMDB03550 hmdb:HMDB05997 chebi:13931 chebi:19815 chebi:3304 chebi:46387 biggM:M_25hvitd3 keggC:M_C01561	secondary/obsolete/fantasy identifier