colistin A (CHEBI:59064)

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CHEBI:59064 - colistin A

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ChEBI ID	CHEBI:59064
ChEBI Name	colistin A
Stars
Definition	A polymyxin having a (6R)-6-methyloctanoyl group at the amino terminus.
Last Modified	15 March 2016
Submitter	Steve
Downloads	Molfile

Formula	C53H100N16O13
Net Charge	0
Average Mass	1169.482
Monoisotopic Mass	1168.76558
SMILES	CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
InChI	InChI=1S/C53H100N16O13/c1-9-30(6)12-10-11-13-41(72)60-33(14-20-54)48(77)69-43(32(8)71)53(82)65-36(17-23-57)45(74)64-38-19-25-59-52(81)42(31(7)70)68-49(78)37(18-24-58)62-44(73)34(15-21-55)63-50(79)39(26-28(2)3)67-51(80)40(27-29(4)5)66-46(75)35(16-22-56)61-47(38)76/h28-40,42-43,70-71H,9-27,54-58H2,1-8H3,(H,59,81)(H,60,72)(H,61,76)(H,62,73)(H,63,79)(H,64,74)(H,65,82)(H,66,75)(H,67,80)(H,68,78)(H,69,77)/t30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40-,42+,43+/m1/s1
InChIKey	XDJYMJULXQKGMM-RVYUQJQSSA-N

Roles Classification

Chemical Roles:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

ChEBI Ontology

Outgoing Relation(s)
	colistin A (CHEBI:59064) is a peptide antibiotic (CHEBI:25903)
	colistin A (CHEBI:59064) is a polymyxin (CHEBI:59062)
Incoming Relation(s)
	colistimethate A (CHEBI:59669) has functional parent colistin A (CHEBI:59064)
	colistin A sodium methanesulfonate (CHEBI:59663) has functional parent colistin A (CHEBI:59064)
	colistin (CHEBI:37943) has part colistin A (CHEBI:59064)

IUPAC Name
4,10-anhydro{N-[(6R)-6-methyloctanoyl]-L-2,4-diaminobutanoyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-leucyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-threonine}

Synonyms	Source
Colistin IV	ChemIDplus
Polymixin E1	ChemIDplus
Polymyxin E1	ChemIDplus
Colistin A	ChemIDplus

Registry Numbers	Sources
Reaxys:8609559	Reaxys
CAS:7722-44-3	ChemIDplus

Citations