| SpectraBase Spectrum ID |
D4sdpLIdj6d |
| Name |
pantothenic acid, 3TMS |
| Comments |
Derivatization type: 3 TMS (mass: 435.229); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001038; Note: The molecular formula of the structure shown is C9H17NO5 - which differs from the formula reported for the mass spectrum (C18H41NO5Si3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H41NO5Si3 |
| InChI |
InChI=1S/C18H41NO5Si3/c1-18(2,14-22-25(3,4)5)16(24-27(9,10)11)17(21)19-13-12-15(20)23-26(6,7)8/h16H,12-14H2,1-11H3,(H,19,21)/t16-/m0/s1 |
| InChIKey |
PQFJBMOEKCYOJR-INIZCTEOSA-N |
| Molecular Weight |
435.783 g/mol |
| SMILES |
N(CCC(=O)O[Si](C)(C)C)C([C@@](C(C)(C)CO[Si](C)(C)C)(O[Si](C)(C)C)[H])=O |
| SPLASH |
splash10-0udi-0910000000-995cbbc1836c6065a624 |
| Source of Spectrum |
FM-2019-1038-0 |
| Synonyms |
vitamin B5, 3TMS
pantothenate, 3TMS
D-pantothenic acid, 3TMS
vitamin B3, 3TMS
(R)-pantothenate, 3TMS
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid, 3TMS
Trimethylsilyl (R)-3-(3,3-dimethyl-2,4-bis((trimethylsilyl)oxy)butanamido)propanoate |
| Wiley ID |
1818697 |
