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1alpha,23R,25S,26-Tetrahydroxyvitamin D3

PropertiesImage
MNX_IDMNXM33862 Image of MNXM33862
referencechebi:190383
formulaC27H44O5
global charge0
mol weight448.644
InChIKeyQDZSTMXTBPCCGE-CSZOQDODSA-N
InChIInChI=1S/C27H44O5/c1-17(12-22(30)15-26(3,32)16-28)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-13-21(29)14-25(31)18(20)2/h7-8,17,21-25,28-32H,2,5-6,9-16H2,1,3-4H3/b19-7+,20-8-/t17-,21-,22-,23-,24+,25+,26+,27-/m1/s1
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)C[C@@H](O)C[C@](C)(O)CO)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C27H44O5/c1-17(12-22(30)15-26(3,32)16-28)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-13-21(29)14-25(31)18(20)2/h7-8,17,21-25,28-32H,2,5-6,9-16H2,1,3-4H3/b19-7+,20-8-/t17-,21-,22-,23-,24+,25+,26+,27-/m1/s1 Image of MNXM33862
SMILES (mnx)[CH3:1][C@H:17]([CH2:12][C@H:22]([CH2:15][C@@:26]([CH3:3])([CH2:16][OH:28])[OH:32])[OH:30])[C@H:23]1[CH2:9][CH2:10][C@H:24]2/[C:19](=[CH:7]/[CH:8]=[C:20]3/[CH2:13][C@@H:21]([OH:29])[CH2:14][C@H:25]([OH:31])[C:18]3=[CH2:2])[CH2:6][CH2:5][CH2:11][C@:27]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:190383
chebi:190383
QDZSTMXTBPCCGE-CSZOQDODSA-N 		1alpha,23R,25S,26-Tetrahydroxyvitamin D3
(2S,4R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2,4-triol

lipidmaps:LMST03020674
lipidmapsM:LMST03020674
QDZSTMXTBPCCGE-CSZOQDODSA-N 		1alpha,23R,25S,26-Tetrahydroxyvitamin D3
(5Z,7E)-(1S,3R,23R,25S)-9,10-seco-5,7,10(19)-cholestatriene-1,3,23,25,26-pentol