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1,25-Dihydroxy-24-oxo-16-ene-vitamin D3

Properties

Image

Occurences in reactions

MNX_ID

MNXM32213

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

formula

C₂₇H₄₀O₄

charge

mass

428.29266

reference

chebi:156186

InChIKey

OBBXJSBOXKFENG-KTCSXPHBSA-N

InChI

InChI=1S/C27H40O4/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/h9-11,17,21,23-24,28-29,31H,2,6-8,12-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,23+,24+,27-/m1/s1

SMILES

C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)CCC(=O)C(C)(C)O)=CC[C@@H]23)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:156186 chebi:156186	1,25-Dihydroxy-24-oxo-16-ene-vitamin D3 (6R)-6-[(3aS,4E,7aS)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]-2-hydroxy-2-methylheptan-3-one
lipidmaps:LMST03020608 lipidmapsM:LMST03020608	1,25-Dihydroxy-24-oxo-16-ene-vitamin D3 (5Z,7E,16Z)-(1S,3R)-24-oxo-9,10-seco-5,7,10(19),16-cholestatetraen-1,3,25-triol