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25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin d3 / 25-hydroxy-16,17,23,23,24,24-hexadehydrocholecalciferol

PropertiesImage
MNX_IDMNXM35695 Image of MNXM35695
referencechebi:230583
formulaC27H38O2
global charge0
mol weight394.599
InChIKeyZBBMFEWVLJKYSU-JQJQXOMGSA-N
InChIInChI=1S/C27H38O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,14,20,23,25,28-29H,1,7-10,13,15,17-18H2,2-5H3/b21-11+,22-12-/t20-,23+,25+,27-/m1/s1
SMILESC=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)C([C@H](C)CC#CC(C)(C)O)=CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C27H38O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,14,20,23,25,28-29H,1,7-10,13,15,17-18H2,2-5H3/b21-11+,22-12-/t20-,23+,25+,27-/m1/s1 Image of MNXM35695
SMILES (mnx)[CH2:1]=[C:19]1[CH2:10][CH2:13][C@H:23]([OH:28])[CH2:18]/[C:22]1=[CH:12]/[CH:11]=[C:21]1\[CH2:9][CH2:7][CH2:17][C@:27]2([CH3:5])[C:24]([C@H:20]([CH3:2])[CH2:8][C:6]#[C:16][C:26]([CH3:3])([CH3:4])[OH:29])=[CH:14][CH2:15][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:230583
chebi:230583
ZBBMFEWVLJKYSU-JQJQXOMGSA-N 		25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin d3 / 25-hydroxy-16,17,23,23,24,24-hexadehydrocholecalciferol
(1S,3Z)-3-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

lipidmaps:LMST03020091
lipidmapsM:LMST03020091
ZBBMFEWVLJKYSU-JQJQXOMGSA-N 		25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3
(5Z,7E)-(3S)-9,10-seco-5,7,10(19),16-cholestatetraen-23-yne-3,25-diol
25-hydroxy-16,17,23,23,24,24-hexadehydrocholecalciferol