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(24R)-1alpha,24,25-trihydroxy-22-oxavitamin D3

PropertiesImage
MNX_IDMNXM30717 Image of MNXM30717
referencechebi:191270
formulaC26H42O5
global charge0
mol weight434.617
InChIKeyXKJQTLNBRNWUQP-IZMFSRRRSA-N
InChIInChI=1S/C26H42O5/c1-16-19(13-20(27)14-23(16)28)9-8-18-7-6-12-26(5)21(10-11-22(18)26)17(2)31-15-24(29)25(3,4)30/h8-9,17,20-24,27-30H,1,6-7,10-15H2,2-5H3/b18-8+,19-9-/t17-,20+,21+,22-,23-,24+,26+/m0/s1
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)OC[C@@H](O)C(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C26H42O5/c1-16-19(13-20(27)14-23(16)28)9-8-18-7-6-12-26(5)21(10-11-22(18)26)17(2)31-15-24(29)25(3,4)30/h8-9,17,20-24,27-30H,1,6-7,10-15H2,2-5H3/b18-8+,19-9-/t17-,20+,21+,22-,23-,24+,26+/m0/s1 Image of MNXM30717
SMILES (mnx)[CH2:1]=[C:16]1/[C:19](=[CH:9]\[CH:8]=[C:18]2/[CH2:7][CH2:6][CH2:12][C@:26]3([CH3:5])[C@@H:21]([C@H:17]([CH3:2])[O:31][CH2:15][C@H:24]([C:25]([CH3:3])([CH3:4])[OH:30])[OH:29])[CH2:10][CH2:11][C@@H:22]23)[CH2:13][C@@H:20]([OH:27])[CH2:14][C@@H:23]1[OH:28]
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:191270
chebi:191270
XKJQTLNBRNWUQP-IZMFSRRRSA-N 		(24R)-1alpha,24,25-trihydroxy-22-oxavitamin D3
(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-[(2R)-2,3-dihydroxy-3-methylbutoxy]ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

lipidmaps:LMST03020065
lipidmapsM:LMST03020065
XKJQTLNBRNWUQP-IZMFSRRRSA-N 		(24R)-1alpha,24,25-trihydroxy-22-oxavitamin D3
(24R)-1alpha,24,25-trihydroxy-22-oxacholecalciferol
(5Z,7E)-(1S,3R,24R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,24,25-tetrol