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(Q77502392)
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English
Rhodobactin
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
piperidine alkaloids
0 references
mass
830.35588166
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₆H₅₀N₁₀O₁₃
0 references
canonical SMILES
NC(=O)NCCCC(NC(=O)C(CCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O)C(=O)NC(CCCNC(N)=O)C(=O)NC1CCCN(O)C1=O
0 references
found in taxon
Rhodococcus rhodochrous
1 reference
stated in
Purification and characterization of rhodobactin: a mixed ligand siderophore from Rhodococcus rhodochrous strain OFS
Identifiers
InChI
InChI=1S/C36H50N10O13/c37-35(57)40-16-4-10-22(32(54)44-23(11-5-17-41-36(38)58)33(55)45-24-12-6-18-46(59)34(24)56)43-31(53)21(42-30(52)20-8-2-14-26(48)28(20)50)9-3-15-39-29(51)19-7-1-13-25(47)27(19)49/h1-2,7-8,13-14,21-24,47-50,59H,3-6,9-12,15-18H2,(H,39,51)(H,42,52)(H,43,53)(H,44,54)(H,45,55)(H3,37,40,57)(H3,38,41,58)
0 references
InChIKey
QEKUWQJZGMGDSX-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
139586253
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139586253
language of work or name
English
PubChem CID
139586253
2 references
stated in
PubChem
PubChem CID
139586253
language of work or name
English
matched by identifier from
InChIKey
InChIKey
QEKUWQJZGMGDSX-UHFFFAOYSA-N
ChEBI ID
218937
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C36H50N10O13/c37-35(57)40-16-4-10-22(32(54)44-23(11-5-17-41-36(38)58)33(55)45-24-12-6-18-46(59)34(24)56)43-31(53)21(42-30(52)20-8-2-14-26(48)28(20)50)9-3-15-39-29(51)19-7-1-13-25(47)27(19)49/h1-2,7-8,13-14,21-24,47-50,59H,3-6,9-12,15-18H2,(H,39,51)(H,42,52)(H,43,53)(H,44,54)(H,45,55)(H3,37,40,57)(H3,38,41,58)
UniChem compound ID
170909531
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA011383
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QEKUWQJZGMGDSX-UHFFFAOYSA-N
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