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1alpha,25-Dihydroxy-16-ene-19-nor-24-oxovitamin D3

PropertiesImage
MNX_IDMNXM33889 Image of MNXM33889
referencechebi:178726
formulaC26H40O4
global charge0
mol weight416.602
InChIKeyKEHHENHIHMFJAY-AVVHVZKBSA-N
InChIInChI=1S/C26H40O4/c1-17(7-12-24(29)25(2,3)30)22-10-11-23-19(6-5-13-26(22,23)4)9-8-18-14-20(27)16-21(28)15-18/h8-10,17,20-21,23,27-28,30H,5-7,11-16H2,1-4H3/b19-9+/t17-,20-,21-,23+,26-/m1/s1
SMILESC[C@H](CCC(=O)C(C)(C)O)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C
MNX internals
InChI (mnx)InChI=1/C26H40O4/c1-17(7-12-24(29)25(2,3)30)22-10-11-23-19(6-5-13-26(22,23)4)9-8-18-14-20(27)16-21(28)15-18/h8-10,17,20-21,23,27-28,30H,5-7,11-16H2,1-4H3/b19-9+/t17-,20-,21-,23+,26-/m1/s1 Image of MNXM33889
SMILES (mnx)[CH3:1][C@H:17]([CH2:7][CH2:12][C:24]([C:25]([CH3:2])([CH3:3])[OH:30])=[O:29])[C:22]1=[CH:10][CH2:11][C@H:23]2/[C:19](=[CH:9]/[CH:8]=[C:18]3\[CH2:14][C@@H:20]([OH:27])[CH2:16][C@H:21]([OH:28])[CH2:15]3)[CH2:6][CH2:5][CH2:13][C@:26]12[CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:178726
chebi:178726
KEHHENHIHMFJAY-AVVHVZKBSA-N 		1alpha,25-Dihydroxy-16-ene-19-nor-24-oxovitamin D3
(6R)-6-[(3aS,4E,7aS)-4-[2-[(3R,5R)-3,5-dihydroxycyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]-2-hydroxy-2-methylheptan-3-one

lipidmaps:LMST03020609
lipidmapsM:LMST03020609
KEHHENHIHMFJAY-AVVHVZKBSA-N 		1alpha,25-Dihydroxy-16-ene-19-nor-24-oxovitamin D3
(5Z,7E,16Z)-(1R,3R)-19-nor-24-oxo-9,10-seco-5,7,16-cholestatrien-1,3,25-triol