U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry EPIMERIC
Molecular Formula 2C58H87N13O20.3Ca.2H.14H2O
Molecular Weight 2947.237
Optical Activity UNSPECIFIED
Defined Stereocenters 24 / 26
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of AMPHOMYCIN CALCIUM

SMILES

[H+].[H+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Ca++].[Ca++].[Ca++].[H]N([C@@H](CC([O-])=O)C(=O)NCC(=O)N[C@H]([C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](C)[C@]2([H])NC(=O)[C@@]3([H])CCCCN3C2=O)C(=O)CNC(=O)[C@H](CC([O-])=O)NC(=O)[C@@H](NC(=O)[C@H](CC([O-])=O)NC(=O)C\C=C\CCCCCC(C)CC)C(C)C([O-])=O.[H]N([C@@H](CC([O-])=O)C(=O)NCC(=O)N[C@H]([C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N4CCC[C@@]4([H])C(=O)N[C@@H](C)[C@]5([H])NC(=O)[C@@]6([H])CCCCN6C5=O)C(=O)CNC(=O)[C@H](CC([O-])=O)NC(=O)[C@@H](NC(=O)[C@H](CC([O-])=O)NC(=O)C\C=C\CCCCCC(C)CC)C(C)C([O-])=O

InChI

InChIKey=UVLNWXGLWVMUGD-AKDFLIFVSA-H
InChI=1S/2C58H91N13O20.3Ca.14H2O/c2*1-8-30(4)18-13-11-9-10-12-14-21-39(72)63-36(26-44(79)80)51(83)68-46(31(5)58(90)91)54(86)65-35(25-43(77)78)50(82)60-27-40(73)64-34(24-42(75)76)49(81)61-28-41(74)66-47(32(6)59)55(87)67-45(29(2)3)56(88)71-23-17-20-38(71)52(84)62-33(7)48-57(89)70-22-16-15-19-37(70)53(85)69-48;;;;;;;;;;;;;;;;;/h2*12,14,29-38,45-48H,8-11,13,15-28,59H2,1-7H3,(H,60,82)(H,61,81)(H,62,84)(H,63,72)(H,64,73)(H,65,86)(H,66,74)(H,67,87)(H,68,83)(H,69,85)(H,75,76)(H,77,78)(H,79,80)(H,90,91);;;;14*1H2/q;;3*+2;;;;;;;;;;;;;;/p-6/b2*14-12+;;;;;;;;;;;;;;;;;/t2*30?,31-,32+,33+,34+,35+,36+,37-,38+,45+,46+,47-,48+;;;;;;;;;;;;;;;;;/m11................./s1

HIDE SMILES / InChI

Molecular Formula H
Molecular Weight 1.0079
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C58H87N13O20
Molecular Weight 1286.3865
Charge -4
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 12 / 13
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:58:44 GMT 2023
Edited
by admin
on Fri Dec 15 15:58:44 GMT 2023
Record UNII
S0NID0OHJY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMPHOMYCIN CALCIUM
GREEN BOOK  
Common Name English
AMPHOMYCIN, CALCIUM SALT
Common Name English
AMFOMYCIN CALCIUM
WHO-DD  
Common Name English
Amfomycin calcium [WHO-DD]
Common Name English
CALCIUM AMPHOMYCIN
Common Name English
AMPHOMYCIN CALCIUM [GREEN BOOK]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C28394
Created by admin on Fri Dec 15 15:58:44 GMT 2023 , Edited by admin on Fri Dec 15 15:58:44 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C80850
Created by admin on Fri Dec 15 15:58:44 GMT 2023 , Edited by admin on Fri Dec 15 15:58:44 GMT 2023
PRIMARY
ECHA (EC/EINECS)
215-775-2
Created by admin on Fri Dec 15 15:58:44 GMT 2023 , Edited by admin on Fri Dec 15 15:58:44 GMT 2023
PRIMARY
DRUG BANK
DBSALT002943
Created by admin on Fri Dec 15 15:58:44 GMT 2023 , Edited by admin on Fri Dec 15 15:58:44 GMT 2023
PRIMARY
EVMPD
SUB00441MIG
Created by admin on Fri Dec 15 15:58:44 GMT 2023 , Edited by admin on Fri Dec 15 15:58:44 GMT 2023
PRIMARY
SMS_ID
100000085132
Created by admin on Fri Dec 15 15:58:44 GMT 2023 , Edited by admin on Fri Dec 15 15:58:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID70161415
Created by admin on Fri Dec 15 15:58:44 GMT 2023 , Edited by admin on Fri Dec 15 15:58:44 GMT 2023
PRIMARY
FDA UNII
S0NID0OHJY
Created by admin on Fri Dec 15 15:58:44 GMT 2023 , Edited by admin on Fri Dec 15 15:58:44 GMT 2023
PRIMARY
CAS
1405-31-8
Created by admin on Fri Dec 15 15:58:44 GMT 2023 , Edited by admin on Fri Dec 15 15:58:44 GMT 2023
PRIMARY
PUBCHEM
145925531
Created by admin on Fri Dec 15 15:58:44 GMT 2023 , Edited by admin on Fri Dec 15 15:58:44 GMT 2023
PRIMARY