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calcitetrol

Properties

Image

Occurences in reactions

MNX_ID

MNXM736303

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₇H₄₄O₄

charge

mass

432.32396

reference

metacycM:CPD-10577

InChIKey

WFZKUWGUJVKMHC-DRLBFNKMSA-N

InChI

InChI=1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10+/t17-,21-,22-,23+,24+,25-,27-/m1/s1

SMILES

C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](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
metacyc.compound:CPD-10577 metacycM:CPD-10577	calcitetrol (1S,3R,5Z,7E,24R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,24,25-tetrol (24R)-24-hydroxycalcitriol 1,24,25-trihydroxyvitamin D3 1alpha,24(R),25-trihydroxyvitamin D3 1alpha,24R,25(OH)3D3 1alpha,24R,25-trihydroxycholecalciferol 1alpha,24R,25-trihydroxyvitamin D3
seed.compound:cpd19498 seedM:cpd19498	Calcitetrol (1S,3R,5Z,7E,24R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,24,25-tetrol (24R)-24-hydroxycalcitriol 1,24,25-trihydroxyvitamin D3 1alpha,24(R),25-trihydroxyvitamin D3 1alpha,24R,25(OH)3D3 1alpha,24R,25-trihydroxycholecalciferol 1alpha,24R,25-trihydroxyvitamin D3 calcitetrol
seedM:M_cpd19498	secondary/obsolete/fantasy identifier