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24-hydroxyvitamin D2

PropertiesImage
MNX_IDMNXM35636 Image of MNXM35636
referencechebi:186399
formulaC28H44O2
global charge0
mol weight412.658
InChIKeyHVAVRRBYXYEBNC-RKULPTJNSA-N
InChIInChI=1S/C28H44O2/c1-19(2)28(6,30)17-15-21(4)25-13-14-26-22(8-7-16-27(25,26)5)10-11-23-18-24(29)12-9-20(23)3/h10-11,15,17,19,21,24-26,29-30H,3,7-9,12-14,16,18H2,1-2,4-6H3/b17-15+,22-10+,23-11-/t21-,24+,25-,26+,27-,28?/m1/s1
SMILESC=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/C(C)(O)C(C)C)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C28H44O2/c1-19(2)28(6,30)17-15-21(4)25-13-14-26-22(8-7-16-27(25,26)5)10-11-23-18-24(29)12-9-20(23)3/h10-11,15,17,19,21,24-26,29-30H,3,7-9,12-14,16,18H2,1-2,4-6H3/b17-15+,22-10+,23-11-/t21-,24+,25-,26+,27-,28?/m1/s1 Image of MNXM35636
SMILES (mnx)[CH3:1][CH:19]([CH3:2])[C:28]([CH3:6])(/[CH:17]=[CH:15]/[C@@H:21]([CH3:4])[C@H:25]1[CH2:13][CH2:14][C@H:26]2/[C:22](=[CH:10]/[CH:11]=[C:23]3/[CH2:18][C@@H:24]([OH:29])[CH2:12][CH2:9][C:20]3=[CH2:3])[CH2:8][CH2:7][CH2:16][C@:27]12[CH3:5])[OH:30]
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:186399
chebi:186399
HVAVRRBYXYEBNC-RKULPTJNSA-N 		24-hydroxyvitamin D2
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

lipidmaps:LMST03010029
lipidmapsM:LMST03010029
HVAVRRBYXYEBNC-RKULPTJNSA-N 		24-hydroxyvitamin D2
(5Z,7E,22E)-(3S)-9,10-seco-5,7,10(19),22-ergostatetraene-3,24-diol
24-hydroxyergocalciferol