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(Q77279541)
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SB-217452
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
2-[(2-Amino-3-hydroxypropanoyl)amino]-3-[5-(4-carbamoylimino-3-methyl-2-oxopyrimidin-1-yl)-3,4-dihydroxythiolan-2-yl]-3-hydroxypropanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
476.132547348
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R,3R)-2-{[(2R)-2-amino-1,3-dihydroxypropylidene]amino}-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(4E)-4-(C-hydroxycarbonimidoylimino)-3-methyl-2-oxopyrimidin-1-yl]thiolan-2-yl]-3-hydroxypropanoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
sb-217452
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₄N₆O₉S
0 references
canonical SMILES
Cn1c(=NC(N)=O)ccn(C2SC(C(O)C(NC(=O)C(N)CO)C(=O)O)C(O)C2O)c1=O
0 references
isomeric SMILES
Cn1c(=NC(N)=O)ccn([C@@H]2S[C@@H]([C@@H](O)[C@@H](NC(=O)[C@@H](N)CO)C(=O)O)[C@H](O)[C@H]2O)c1=O
0 references
found in taxon
Streptomyces
1 reference
stated in
A potent seryl tRNA synthetase inhibitor SB-217452 isolated from a Streptomyces species
Identifiers
InChI
InChI=1S/C16H24N6O9S/c1-21-6(19-15(18)30)2-3-22(16(21)31)13-10(26)9(25)11(32-13)8(24)7(14(28)29)20-12(27)5(17)4-23/h2-3,5,7-11,13,23-26H,4,17H2,1H3,(H2,18,30)(H,20,27)(H,28,29)/t5-,7+,8-,9+,10+,11-,13+/m0/s1
0 references
InChIKey
NGJDTPRGDCKRHD-ZAUJBZHMSA-N
2 references
stated in
PubChem
PubChem CID
139584089
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139584089
language of work or name
English
PubChem CID
139584089
2 references
stated in
PubChem
PubChem CID
139584089
language of work or name
English
matched by identifier from
InChIKey
InChIKey
NGJDTPRGDCKRHD-ZAUJBZHMSA-N
ChEBI ID
200644
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H24N6O9S/c1-21-6(19-15(18)30)2-3-22(16(21)31)13-10(26)9(25)11(32-13)8(24)7(14(28)29)20-12(27)5(17)4-23/h2-3,5,7-11,13,23-26H,4,17H2,1H3,(H2,18,30)(H,20,27)(H,28,29)/t5-,7+,8-,9+,10+,11-,13+/m0/s1
UniChem compound ID
170907605
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA003591
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NGJDTPRGDCKRHD-ZAUJBZHMSA-N
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