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(Q76296172)
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English
(2S,3S,4E,6E,8R,9R)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
331.214743788
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(2s,3s,8s,9s)-3-Amino-9-Methoxy-2,6,8-Trimethyl-10-Phenyldeca-4,6-Dienoic Acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₉NO₃
0 references
canonical SMILES
CC(C=C(C)C=CC(C(C)C(=O)O)N)C(Cc1ccccc1)OC
1 reference
stated in
RCSB protein data bank
PDB ligand ID
MFD
language of work or name
English
retrieved
16 February 2021
isomeric SMILES
C[C@H](/C=C(\C)/C=C/[C@@H]([C@H](C)C(=O)O)N)[C@@H](CC1=CC=CC=C1)OC
0 references
Identifiers
InChI
InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16+,18+,19-/m1/s1
0 references
InChIKey
HJVCHYDYCYBBQX-AWKNMOFVSA-N
0 references
PubChem CID
5288801
1 reference
matched by identifier from
InChIKey
InChIKey
HJVCHYDYCYBBQX-AWKNMOFVSA-N
UniChem compound ID
642055
1 reference
stated in
UniChem
DrugBank ID
DB01850
1 reference
matched by identifier from
InChIKey
InChIKey
HJVCHYDYCYBBQX-AWKNMOFVSA-N
Probes And Drugs ID
PD060303
0 references
PDB ligand ID
MFD
0 references
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