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colistimethate B

CHEBI:CHEBI_59671

Definition

Colistin B in which each of the primary amino groups is converted into the corresponding aminomethanesulfonic acid, commonly by the action of formaldehyde followed by sodium bisulfite.

Chemical Information

Molecular Formula
C57H108N16O28S5
Molecular Mass
1625.88300
Charge
0
SMILES
CC(C)CCCCC(=O)N[C@@H](CCNCS(O)(=O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCNCS(O)(=O)=O)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCNCS(O)(=O)=O)NC(=O)[C@H](CCNCS(O)(=O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCNCS(O)(=O)=O)NC1=O)[C@@H](C)O
InChI
InChI=1S/C57H108N16O28S5/c1-32(2)11-9-10-12-45(76)64-37(13-19-58-27-102(87,88)89)52(81)73-47(36(8)75)57(86)69-40(16-22-61-30-105(96,97)98)49(78)67-42-18-24-63-56(85)46(35(7)74)72-53(82)41(17-23-62-31-106(99,100)101)66-48(77)38(14-20-59-28-103(90,91)92)68-54(83)43(25-33(3)4)71-55(84)44(26-34(5)6)70-51(80)39(65-50(42)79)15-21-60-29-104(93,94)95/h32-44,46-47,58-62,74-75H,9-31H2,1-8H3,(H,63,85)(H,64,76)(H,65,79)(H,66,77)(H,67,78)(H,68,83)(H,69,86)(H,70,80)(H,71,84)(H,72,82)(H,73,81)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)/t35-,36-,37+,38+,39+,40+,41+,42+,43+,44-,46+,47+/m1/s1
InChIKey
DFSJNVZGJOIDRT-BJISPZADSA-N

Alternative Names

  • {[(3S)-4-{[(3S,6S,9S,12S,15R,18S,21S)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris{2-[(sulfomethyl)amino]ethyl}-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}-3-{[(2S,3R)-3-hydroxy-2-({(2S)-2-[(6-methylheptanoyl)amino]-4-[(sulfomethyl)amino]butanoyl}amino)butanoyl]amino}-4-oxobutyl]amino}methanesulfonic acid

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

oboInOwl#hasDbXref
PMID:16931410
core#notation
CHEBI:59671

Additional References

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Additional Attributes

BFO_0000051
http://purl.obolibrary.org/obo/CHEBI_59662
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_59667
owl#annotatedSource
t255212
owl#someValuesFrom
t255793
oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
PMID:16931410
oboInOwl#id
CHEBI:59671
core#notation
CHEBI:59671
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_59673
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_59667
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class