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(Q77492775)
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English
Polymyxin B5
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic cyclopeptide
0 references
mass
1,202.749927196
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅₆H₉₈N₁₆O₁₃
0 references
canonical SMILES
CCCCCCCCC(=O)NC(CCN)C(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)C(C)O
0 references
found in taxon
Paenibacillus polymyxa
1 reference
stated in
Isolation and structural characterization of polymyxin B components
Identifiers
InChI
InChI=1S/C56H98N16O13/c1-6-7-8-9-10-14-17-44(75)63-36(18-24-57)51(80)72-46(34(5)74)56(85)68-39(21-27-60)48(77)67-41-23-29-62-55(84)45(33(4)73)71-52(81)40(22-28-61)65-47(76)37(19-25-58)66-53(82)42(30-32(2)3)69-54(83)43(31-35-15-12-11-13-16-35)70-49(78)38(20-26-59)64-50(41)79/h11-13,15-16,32-34,36-43,45-46,73-74H,6-10,14,17-31,57-61H2,1-5H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)
0 references
InChIKey
RGUCBEFVOXUBFX-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
73015506
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
73015506
language of work or name
English
PubChem CID
73015506
2 references
stated in
PubChem
PubChem CID
73015506
language of work or name
English
matched by identifier from
InChIKey
InChIKey
RGUCBEFVOXUBFX-UHFFFAOYSA-N
ChEBI ID
211004
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C56H98N16O13/c1-6-7-8-9-10-14-17-44(75)63-36(18-24-57)51(80)72-46(34(5)74)56(85)68-39(21-27-60)48(77)67-41-23-29-62-55(84)45(33(4)73)71-52(81)40(22-28-61)65-47(76)37(19-25-58)66-53(82)42(30-32(2)3)69-54(83)43(31-35-15-12-11-13-16-35)70-49(78)38(20-26-59)64-50(41)79/h11-13,15-16,32-34,36-43,45-46,73-74H,6-10,14,17-31,57-61H2,1-5H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)
UniChem compound ID
70561940
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA009889
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RGUCBEFVOXUBFX-UHFFFAOYSA-N
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