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secalciferol

Properties

Image

Occurences in reactions

MNX_ID

MNXM1101169

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	13

formula

C₂₇H₄₄O₃

charge

mass

416.32905

reference

chebi:28818

InChIKey

FCKJYANJHNLEEP-XRWYNYHCSA-N

InChI

InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,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)CC[C@@H](O)C(C)(C)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28818 chebi:28818	secalciferol (24R)-24,25-dihydroxycalciol (24R)-24,25-dihydroxycholecalciferol (24R)-24,25-dihydroxyvitamin D3 (3S,5Z,7E,24R)-9,10-secocholesta-5,7,10-triene-3,24,25-triol 24(R),25-Dihydroxyvitamin D3 24R,25(OH)2D3 24R,25-dihydroxycholecalciferol 24R,25-dihydroxyvitamin D3 Secalciferol
lipidmaps:LMST03020273 lipidmapsM:LMST03020273	(24R)-24,25-dihydroxyvitamin D3 / (24R)-24,25-dihydroxycholecalciferol (5Z,7E)-(3S,24R)-9,10-seco-5,7,10(19)-cholestatriene-3,24,25-triol
bigg.metabolite:2425dhvitd3 biggM:2425dhvitd3	24R,25-Dihydroxyvitamin D3
SLM:000000476 slm:000000476	Secalciferol
kegg.drug:D00628 keggD:D00628	Secalciferol (JAN/USAN/INN) Osteo D (TN)
kegg.compound:C07712 keggC:C07712	Secalciferol (24R),25-Dihydroxyvitamin D3 (3S,5Z,7E,24R)-9,10-Secocholesta-5,7,10-triene-3,24,25-triol 24(R),25-Dihydroxyvitamin D3
sabiork.compound:9816 sabiorkM:9816	Secalciferol 24(R),25-Dihydroxyvitamin D3
chebi:19806 chebi:47128 chebi:9072 biggM:M_2425dhvitd3 keggC:M_C07712 keggD:M_D00628	secondary/obsolete/fantasy identifier