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calcidiol

Properties

Image

Occurences in reactions

MNX_ID

MNXM730313

	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	0

formula

C₂₇H₄₄O₂

charge

mass

400.33413

reference

metacycM:CALCIDIOL

InChIKey

JWUBBDSIWDLEOM-WIFPIRAHSA-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
metacyc.compound:CALCIDIOL metacycM:CALCIDIOL	calcidiol (3S,5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol 25-hydroxyvitamin D3 calcifediol calcifediol anhydrous calderol (tn)
seed.compound:cpd01099 seedM:cpd01099	Calcidiol (3S,5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol 25-Hydroxyvitamin D3 25-hydroxyvitamin D3 Calcifediol Calcifediol anhydrous calcidiol calcifediol calcifediol anhydrous calderol (tn)
seedM:M_cpd01099	secondary/obsolete/fantasy identifier