CHEBI:59666 - colistimethate A(5−)

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ChEBI Name colistimethate A(5−) ChEBI ID CHEBI:59666 ChEBI ASCII Name colistimethate A(5-) Definition The penta-anion resulting from the removal of protons from each of the sulfonic acid groups of colistimethate A. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C58H105N16O28S5 Net Charge -5 Average Mass 1634.87000 Monoisotopic Mass 1633.59152 InChI InChI=1S/C58H110N16O28S5/c1-9-35(6)12-10-11-13-46(77)65-38(14-20-59-28-103(88,89)90)53(82)74-48(37(8)76)58(87)70-41(17-23-62-31-106(97,98)99)50(79)68-43-19-25-64-57(86)47(36(7)75)73-54(83)42(18-24-63-32-107(100,101)102)67-49(78)39(15-21-60-29-104(91,92)93)69-55(84)44(26-33(2)3)72-56(85)45(27-34(4)5)71-52(81)40(66-51(43)80)16-22-61-30-105(94,95)96/h33-45,47-48,59-63,75-76H,9-32H2,1-8H3,(H,64,86)(H,65,77)(H,66,80)(H,67,78)(H,68,79)(H,69,84)(H,70,87)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)/p-5/t35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,47+,48+/m1/s1 InChIKey BSSIRFLGSWHWDE-NHYGBIDUSA-I SMILES CC[C@@H](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 ChEBI Ontology Outgoing colistimethate A(5−) (CHEBI:59666) is a organosulfonate oxoanion (CHEBI:33554) colistimethate A(5−) (CHEBI:59666) is conjugate base of colistimethate A (CHEBI:59669) Incoming colistimethate(5−) (CHEBI:59661) has part colistimethate A(5−) (CHEBI:59666) colistin A sodium methanesulfonate (CHEBI:59663) has part colistimethate A(5−) (CHEBI:59666) colistimethate A (CHEBI:59669) is conjugate acid of colistimethate A(5−) (CHEBI:59666) IUPAC Name {[(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-[(sulfonatomethyl)amino]ethyl}-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}-3-{[(2S,3R)-3-hydroxy-2-({(2S)-2-{[(6R)-6-methyloctanoyl]amino}-4-[(sulfonatomethyl)amino]butanoyl}amino)butanoyl]amino}-4-oxobutyl]amino}methanesulfonate Synonyms Sources colistimethate A penta-anion ChEBI colistin A methanesulfonate(5−) ChEBI polymyxin E1 methanesulfonate penta-anion ChEBI polymyxin E1 methanesulfonate(5−) ChEBI Last Modified 29 June 2010