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3beta,23S,25-dihydroxyvitamin D3

MNXM30699 is deprecated and here replaced by MNXM1371440
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371440 Image of MNXM1371440
referencechebi:188276
formulaC27H44O3
global charge0
mol weight416.646
InChIKeyJVBPQHSRTHJMLM-VCAQAZSGSA-N
InChIInChI=1S/C27H44O3/c1-18-8-11-22(28)16-21(18)10-9-20-7-6-14-27(5)24(12-13-25(20)27)19(2)15-23(29)17-26(3,4)30/h9-10,19,22-25,28-30H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22-,23+,24-,25+,27-/m1/s1
SMILESC=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)C[C@H](O)CC(C)(C)O)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C27H44O3/c1-18-8-11-22(28)16-21(18)10-9-20-7-6-14-27(5)24(12-13-25(20)27)19(2)15-23(29)17-26(3,4)30/h9-10,19,22-25,28-30H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22-,23+,24-,25+,27-/m1/s1 Image of MNXM1371440
SMILES (mnx)[CH2:1]=[C:18]1[CH2:8][CH2:11][C@@H:22]([OH:28])[CH2:16]/[C:21]1=[CH:10]/[CH:9]=[C:20]1\[CH2:7][CH2:6][CH2:14][C@:27]2([CH3:5])[C@@H:24]([C@H:19]([CH3:2])[CH2:15][C@@H:23]([CH2:17][C:26]([CH3:3])([CH3:4])[OH:30])[OH:29])[CH2:12][CH2:13][C@@H:25]12
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:188276
chebi:188276
JVBPQHSRTHJMLM-VCAQAZSGSA-N 		3beta,23S,25-dihydroxyvitamin D3
(4S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,4-diol

lipidmaps:LMST03020689
lipidmapsM:LMST03020689
JVBPQHSRTHJMLM-VCAQAZSGSA-N 		3beta,23S,25-dihydroxyvitamin D3