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Calcidiol

PropertiesImageOccurences in reactions
MNX_IDMNXM1376761Image of MNXM1376761
#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 0
formulaC27H44O2
charge0
mass400.647
referenceseedM:cpd01099
InChIKeyJWUBBDSIWDLEOM-WIFPIRAHSA-N
InChIInChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12+/t20-,23+,24-,25+,27-/m1/s1
SMILES[CH2:1]=[C:19]1[CH2:10][CH2:13][C@H:23]([OH:28])[CH2:18]/[C:22]1=[CH:12]\[CH:11]=[C:21]1/[CH2:9][CH2:7][CH2:17][C@:27]2([CH3:5])[C@@H:24]([C@H:20]([CH3:2])[CH2:8][CH2:6][CH2:16][C:26]([CH3:3])([CH3:4])[OH:29])[CH2:14][CH2:15][C@@H:25]12
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Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd01099
seedM:cpd01099
Calcidiol
(3S,5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol
25-Hydroxyvitamin D3
25-hydroxyvitamin D3
Calcifediol
Calcifediol anhydrous
calcidiol
calcifediol
calcifediol anhydrous
calderol (tn)
seedM:M_cpd01099 secondary/obsolete/fantasy identifier