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(24R)-24,25-Dihydroxyvitamin D2/(24R)-24,25-dihydroxyergocalciferol

PropertiesImage
MNX_IDMNXM30723 Image of MNXM30723
referencechebi:231225
formulaC28H44O3
global charge0
mol weight428.657
InChIKeyBPEQZNMKGFTMQE-LXHCYJFYSA-N
InChIInChI=1S/C28H44O3/c1-19-9-12-23(29)18-22(19)11-10-21-8-7-16-27(5)24(13-14-25(21)27)20(2)15-17-28(6,31)26(3,4)30/h10-11,15,17,20,23-25,29-31H,1,7-9,12-14,16,18H2,2-6H3/b17-15+,21-10+,22-11-/t20-,23+,24-,25+,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)O)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C28H44O3/c1-19-9-12-23(29)18-22(19)11-10-21-8-7-16-27(5)24(13-14-25(21)27)20(2)15-17-28(6,31)26(3,4)30/h10-11,15,17,20,23-25,29-31H,1,7-9,12-14,16,18H2,2-6H3/b17-15+,21-10+,22-11-/t20-,23+,24-,25+,27-,28-/m1/s1 Image of MNXM30723
SMILES (mnx)[CH2:1]=[C:19]1[CH2:9][CH2:12][C@H:23]([OH:29])[CH2:18]/[C:22]1=[CH:11]/[CH:10]=[C:21]1\[CH2:8][CH2:7][CH2:16][C@:27]2([CH3:5])[C@@H:24]([C@H:20]([CH3:2])/[CH:15]=[CH:17]/[C@:28]([CH3:6])([C:26]([CH3:3])([CH3:4])[OH:30])[OH:31])[CH2:13][CH2:14][C@@H:25]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:231225
chebi:231225
BPEQZNMKGFTMQE-LXHCYJFYSA-N 		(24R)-24,25-Dihydroxyvitamin D2/(24R)-24,25-dihydroxyergocalciferol
(E,3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-ene-2,3-diol

lipidmaps:LMST03010048
lipidmapsM:LMST03010048
BPEQZNMKGFTMQE-LXHCYJFYSA-N 		(24R)-24,25-dihydroxyvitamin D2
(24R)-24,25-dihydroxyergocalciferol
(5Z,7E,22E)-(3S,24R)-9,10-seco-5,7,10(19),22-ergostatetraene-3,24,25-triol

bigg.metabolite:2425dhvitd2
biggM:2425dhvitd2
vmhM:2425dhvitd2
vmhmetabolite:2425dhvitd2
BPEQZNMKGFTMQE-LXHCYJFYSA-N
BPEQZNMKGFTMQE-XIMRHTDJSA-N 		24R,25-Dihyoxyvitamin D2

biggM:M_2425dhvitd2
vmhM:M_2425dhvitd2 		secondary/obsolete/fantasy identifier