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(Q115966218)
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English
(2S,3R)-3-Hydroxy-2-methylbutanoyl-CoA
group of stereoisomers with the chemical formula C₂₆H₄₄N₇O₁₈P₃S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
867.167638458
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₄₄N₇O₁₈P₃S
0 references
canonical SMILES
O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)C(C)C(O)C
0 references
found in taxon
Homo sapiens
1 reference
stated in
A community-driven global reconstruction of human metabolism.
Identifiers
InChI
InChI=1S/C26H44N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-15,18-20,24,34,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)
0 references
InChIKey
PEKYNTFSOBAABV-UHFFFAOYSA-N
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PubChem CID
52
1 reference
stated in
PubChem
retrieved
3 January 2023
based on heuristic
inferred from InChIKey
UniChem compound ID
50416707
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0301410
1 reference
based on heuristic
inferred from InChIKey
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