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(6R)-vitamin D2 6,19-sulfur dioxide adduct / (6R)-ergocalciferol 6,19-sulfur dioxide adduct

PropertiesImage
MNX_IDMNXM31343 Image of MNXM31343
referencechebi:169923
formulaC28H44O3S
global charge0
mol weight460.724
InChIKeyLYTLCKCMCADGOA-BXKIDZFASA-N
InChIInChI=1S/C28H44O3S/c1-18(2)19(3)8-9-20(4)25-12-13-26-21(7-6-14-28(25,26)5)15-27-24-16-23(29)11-10-22(24)17-32(27,30)31/h8-9,15,18-20,23,25-27,29H,6-7,10-14,16-17H2,1-5H3/b9-8+,21-15+/t19-,20+,23-,25+,26-,27+,28+/m0/s1
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@@H]3C4=C(CC[C@H](O)C4)CS3(=O)=O)CCC[C@]12C
MNX internals
InChI (mnx)InChI=1/C28H44O3S/c1-18(2)19(3)8-9-20(4)25-12-13-26-21(7-6-14-28(25,26)5)15-27-24-16-23(29)11-10-22(24)17-32(27,30)31/h8-9,15,18-20,23,25-27,29H,6-7,10-14,16-17H2,1-5H3/b9-8+,21-15+/t19-,20+,23-,25+,26-,27+,28+/m0/s1 Image of MNXM31343
SMILES (mnx)[CH3:1][CH:18]([CH3:2])[C@@H:19]([CH3:3])/[CH:8]=[CH:9]/[C@@H:20]([CH3:4])[C@H:25]1[CH2:12][CH2:13][C@H:26]2/[C:21](=[CH:15]/[C@@H:27]3[C:24]4=[C:22]([CH2:10][CH2:11][C@H:23]([OH:29])[CH2:16]4)[CH2:17][S:32]3(=[O:30])=[O:31])[CH2:7][CH2:6][CH2:14][C@:28]12[CH3:5]
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:169923
chebi:169923
LYTLCKCMCADGOA-BXKIDZFASA-N 		(6R)-vitamin D2 6,19-sulfur dioxide adduct / (6R)-ergocalciferol 6,19-sulfur dioxide adduct
(3R,5S)-3-[(E)-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-2,2-dioxo-1,3,4,5,6,7-hexahydro-2-benzothiophen-5-ol

lipidmaps:LMST03010034
lipidmapsM:LMST03010034
LYTLCKCMCADGOA-BXKIDZFASA-N 		(6R)-vitamin D2 6,19-sulfur dioxide adduct
(6R)-ergocalciferol 6,19-sulfur dioxide adduct
(7E)-(3S,6R)-6,19-epithio-9,10-seco-5(10),7,22-ergostatrien-3-ol S,S-dioxide