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(23R)-1alpha,23,25-trihydroxyvitamin D3 / (23R)-1alpha,23,25-trihydroxycholecalciferol

PropertiesImage
MNX_IDMNXM30681 Image of MNXM30681
referencelipidmapsM:LMST03020388
formulaC27H44O4
global charge0
mol weight432.645
InChIKeyNHRGJVVEKNHIIE-PTNHXQMASA-N
InChIInChI=1S/C27H44O4/c1-17(13-22(29)16-26(3,4)31)23-10-11-24-19(7-6-12-27(23,24)5)8-9-20-14-21(28)15-25(30)18(20)2/h8-9,17,21-25,28-31H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9-/t17-,21-,22-,23-,24+,25+,27-/m1/s1
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)C[C@@H](O)CC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C27H44O4/c1-17(13-22(29)16-26(3,4)31)23-10-11-24-19(7-6-12-27(23,24)5)8-9-20-14-21(28)15-25(30)18(20)2/h8-9,17,21-25,28-31H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9-/t17-,21-,22-,23-,24+,25+,27-/m1/s1 Image of MNXM30681
SMILES (mnx)[CH3:1][C@H:17]([CH2:13][C@H:22]([CH2:16][C:26]([CH3:3])([CH3:4])[OH:31])[OH:29])[C@H:23]1[CH2:10][CH2:11][C@H:24]2/[C:19](=[CH:8]/[CH:9]=[C:20]3/[CH2:14][C@@H:21]([OH:28])[CH2:15][C@H:25]([OH:30])[C:18]3=[CH2:2])[CH2:7][CH2:6][CH2:12][C@:27]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

lipidmaps:LMST03020388
lipidmapsM:LMST03020388
NHRGJVVEKNHIIE-PTNHXQMASA-N 		(23R)-1alpha,23,25-trihydroxyvitamin D3 / (23R)-1alpha,23,25-trihydroxycholecalciferol
(5Z,7E)-(1S,3R,23R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,23,25-tetrol

CHEBI:233813
chebi:233813
NHRGJVVEKNHIIE-CKQZIKLPSA-N 		1-alpha-23,25-dihydroxy vitamin D3
(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-4,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol