Structure database (LMSD)

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LM IDLMST01010090
Common NameDesmosterol(d6)
Systematic Namecholest-5,24-dien-3β-ol(d6)
Synonyms-
Exact Mass
390.3763 (neutral)    Calculate m/z:
FormulaC27H38D6O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
PubChem CID5314026
KEGG IDC01802
HMDB IDHMDB02719
CHEBI ID17737
CAYMAN ID26777
InChIKeyAVSXSVCZWQODGV-QSOBUISFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3
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SMILES
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CC/C=C(/C([2H])([2H])[2H])\C([2H])([2H])[2H])CC[C@@]21[H])[H]
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StatusActive (Isotopically labelled standard)
CommentsSynthetic deuterated standard