ALBOMYCIN .EPSILON.

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H55N11O17S.Fe.H
Molecular Weight	1002.803
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H+].[Fe+3].CN1C(=N)C=CN([C@@H]2S[C@H]([C@@H](O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN([O-])C(C)=O)NC(=O)[C@H](CCCN([O-])C(C)=O)NC(=O)[C@@H](N)CCCN([O-])C(C)=O)C([O-])=O)[C@H](O)[C@H]2O)C1=O

InChI

InChIKey=VQCJCCMAGPCDIK-DFBZBFILSA-N

InChI=1S/C36H56N11O17S.Fe/c1-17(49)45(62)12-5-8-20(37)30(55)39-21(9-6-13-46(63)18(2)50)31(56)40-22(10-7-14-47(64)19(3)51)32(57)41-23(16-48)33(58)42-25(35(59)60)26(52)29-27(53)28(54)34(65-29)44-15-11-24(38)43(4)36(44)61;/h11,15,20-23,25-29,34,38,48,52-54H,5-10,12-14,16,37H2,1-4H3,(H,39,55)(H,40,56)(H,41,57)(H,42,58)(H,59,60);/q-3;+3/t20-,21-,22-,23-,25+,26-,27+,28+,29+,34+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	Fe
Molecular Weight	55.845
Charge	3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C36H56N11O17S
Molecular Weight	946.958
Charge	-3
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:49:25 GMT 2025` Edited by `admin` on `Mon Mar 31 20:49:25 GMT 2025`
Record UNII	2FI7OQF5OS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALBOMYCIN .EPSILON.

Common Name

English

RO-7-7731

Preferred Name

English

Code System Code Type Description

FDA UNII

2FI7OQF5OS

Created by admin on Mon Mar 31 20:49:25 GMT 2025 , Edited by admin on Mon Mar 31 20:49:25 GMT 2025

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PUBCHEM

90478363

Created by admin on Mon Mar 31 20:49:25 GMT 2025 , Edited by admin on Mon Mar 31 20:49:25 GMT 2025

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CAS

12676-10-7

Created by admin on Mon Mar 31 20:49:25 GMT 2025 , Edited by admin on Mon Mar 31 20:49:25 GMT 2025

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SMS_ID

300000038539

Created by admin on Mon Mar 31 20:49:25 GMT 2025 , Edited by admin on Mon Mar 31 20:49:25 GMT 2025

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