COLISTIN A SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C53H100N16O13.5H2O4S
Molecular Weight	2829.313
Optical Activity	UNSPECIFIED
Defined Stereocenters	26 / 26
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.[H][C@](NC(=O)[C@H](CCN)NC(=O)CCCC[C@@H](C)CC)([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@]([H])(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.[H][C@](NC(=O)[C@H](CCN)NC(=O)CCCC[C@@H](C)CC)([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]2CCNC(=O)[C@@]([H])(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)NC2=O)[C@@H](C)O

InChI

InChIKey=RIVWZNNHCTXSOL-HCVSOWFXSA-N

InChI=1S/2C53H100N16O13.5H2O4S/c2*1-9-30(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;5*1-5(2,3)4/h2*28-40,42-43,70-71H,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);5*(H2,1,2,3,4)/t2*30-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40+,42-,43-;;;;;/m00...../s1

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C53H100N16O13
Molecular Weight	1169.4605
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Aerosols and anti-infectious agents.	2001 Spring	11495486
Characterization and antibiotic susceptibility of Listeria monocytogenes isolated from poultry and red meat in Morocco.	2008	21694879
[Inhaled therapies in cystic fibrosis].	2008 Oct	18971805
The food contaminant fumonisin B(1) reduces the maturation of porcine CD11R1(+) intestinal antigen presenting cells and antigen-specific immune responses, leading to a prolonged intestinal ETEC infection.	2009 Jul-Aug	19389343

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:44:16 GMT 2023` Edited by `admin` on `Sat Dec 16 05:44:16 GMT 2023`
Record UNII	N6M80TCQ0I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COLISTIN A SULFATE

Common Name

English

COLISTIN A SULPHATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C78160