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1alpha,25-dihydroxyvitamin D2

PropertiesImage
MNX_IDMNXM737660 Image of MNXM737660
referencechebi:86320
formulaC28H44O3
global charge0
mol weight428.657
InChIKeyZGLHBRQAEXKACO-XJRQOBMKSA-N
InChIInChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1 Image of MNXM737660
SMILES (mnx)[CH3:1][C@H:18](/[CH:9]=[CH:10]/[C@H:19]([CH3:2])[C:27]([CH3:4])([CH3:5])[OH:31])[C@H:24]1[CH2:13][CH2:14][C@H:25]2/[C:21](=[CH:11]/[CH:12]=[C:22]3/[CH2:16][C@@H:23]([OH:29])[CH2:17][C@H:26]([OH:30])[C:20]3=[CH2:3])[CH2:8][CH2:7][CH2:15][C@:28]12[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:86320
chebi:86320
ZGLHBRQAEXKACO-XJRQOBMKSA-N 		1alpha,25-dihydroxyvitamin D2
1,25-Dihydroxycalciferol
1,25-Dihydroxyergocalciferol
1,25-Dihydroxyvitamin D2
1alpha,25-Dihydroxyergocalciferol
1alpha,25-Dihydroxyvitamin D2
1alpha,25-dihydroxycalciferol
1alpha,25-dihydroxyergocalciferol
Ercalcitriol

bigg.metabolite:1a25dhvitd2
biggM:1a25dhvitd2
ZGLHBRQAEXKACO-XJRQOBMKSA-N 		1-alpha,25-Dihydroxyvitamin D2

vmhM:1a25dhvitd2
vmhmetabolite:1a25dhvitd2
ZGLHBRQAEXKACO-XJRQOBMKSA-N 		1-alpha,25-Dihydroxyvitamin D2
(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol

SLM:000485673
slm:000485673
ZGLHBRQAEXKACO-XJRQOBMKSA-N 		1alpha,25-dihydroxyvitamin D2

lipidmaps:LMST03010040
lipidmapsM:LMST03010040
ZGLHBRQAEXKACO-XJRQOBMKSA-N 		1alpha,25-dihydroxyvitamin D2
(5Z,7E,22E)-(1S,3R)-9,10-seco-5,7,10(19),22-ergostatetraene-1,3,25-triol
1alpha,25-dihydroxyergocalciferol
hmdb:HMDB0006225
ZGLHBRQAEXKACO-XJRQOBMKSA-N 		Ercalcitriol
(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-hexahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
1 alpha,25-Dihydroxyvitamin D2
1,25-(OH)2D2
1,25-Dihydroxycalciferol
1,25-Dihydroxyergocalciferol
1,25-Dihydroxyergocalciferol, (1alpha,3beta,5Z,7E,22E)-isomer
1,25-Dihydroxyvitamin D2
1a,25-Dihydroxycalciferol
1a,25-Dihydroxyergocalciferol
1a,25-Dihydroxyvitamin D2
1a,25-Dihydroxyvitamin D2 / 1a,,25-dihydroxyergocalciferol
1alpha,25-Dihydroxycalciferol
1alpha,25-Dihydroxyergocalciferol
1alpha,25-dihydroxycalciferol
1alpha,25-dihydroxyergocalciferol
1alpha,25-dihydroxyvitamin D2
1alpha,25-dihydroxyvitamin D2 / 1alpha,,25-dihydroxyergocalciferol

hmdb:HMDB06225
biggM:M_1a25dhvitd2
vmhM:M_1a25dhvitd2 		secondary/obsolete/fantasy identifier