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(Q32039085)
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English
cholecalciferol (undefined stereochemistry)
chemical compound
vitamin D3
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Statements
instance of
group of stereoisomers
0 references
subclass of
D3 vitamins
0 references
9,10-secocholestane steroid
1 reference
inferred from
9,10-secocholestane steroid
mass
384.6387
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₄O
0 references
canonical SMILES
CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
0 references
Identifiers
InChI
InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3
0 references
InChIKey
QYSXJUFSXHHAJI-UHFFFAOYSA-N
0 references
PubChem CID
2735
0 references
UniChem compound ID
57090487
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Washington_State_Univ-BML80927
0 references
Human Metabolome Database ID
HMDB0242506
1 reference
based on heuristic
inferred from InChIKey
Probes And Drugs ID
PD065379
0 references
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