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1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3 / 1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)cholecalciferol

PropertiesImage
MNX_IDMNXM33988 Image of MNXM33988
referencechebi:169808
formulaC33H56O4
global charge0
mol weight516.807
InChIKeyMAINXJQGDLCPQQ-ALINLBMXSA-N
InChIInChI=1S/C33H56O4/c1-23(12-10-19-32(3,4)37)28-17-18-29-25(13-11-20-33(28,29)5)15-16-26-22-30(35)27(31(36)24(26)2)14-8-6-7-9-21-34/h15-16,23,27-31,34-37H,2,6-14,17-22H2,1,3-5H3/b25-15+,26-16-/t23-,27-,28-,29+,30-,31-,33-/m1/s1
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)[C@@H](CCCCCCO)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C33H56O4/c1-23(12-10-19-32(3,4)37)28-17-18-29-25(13-11-20-33(28,29)5)15-16-26-22-30(35)27(31(36)24(26)2)14-8-6-7-9-21-34/h15-16,23,27-31,34-37H,2,6-14,17-22H2,1,3-5H3/b25-15+,26-16-/t23-,27-,28-,29+,30-,31-,33-/m1/s1 Image of MNXM33988
SMILES (mnx)[CH3:1][C@H:23]([CH2:12][CH2:10][CH2:19][C:32]([CH3:3])([CH3:4])[OH:37])[C@H:28]1[CH2:17][CH2:18][C@H:29]2/[C:25](=[CH:15]/[CH:16]=[C:26]3/[CH2:22][C@@H:30]([OH:35])[C@@H:27]([CH2:14][CH2:8][CH2:6][CH2:7][CH2:9][CH2:21][OH:34])[C@H:31]([OH:36])[C:24]3=[CH2:2])[CH2:13][CH2:11][CH2:20][C@:33]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:169808
chebi:169808
MAINXJQGDLCPQQ-ALINLBMXSA-N 		1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3 / 1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)cholecalciferol
(1R,2R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(6-hydroxyhexyl)-4-methylidenecyclohexane-1,3-diol

lipidmaps:LMST03020534
lipidmapsM:LMST03020534
MAINXJQGDLCPQQ-ALINLBMXSA-N 		1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3
(5Z,7E)-(1S,2R,3R)-2-(6-hydroxyhexyl)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)cholecalciferol