ALBOMYCIN .DELTA.2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H56N12O18S.Fe.H
Molecular Weight	1045.828
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H+].[Fe+3].CN1C(=O)N(C=C\C1=N/C(N)=O)[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

InChI

InChIKey=RQZRKFJHRUDTLB-IDJYBIRTSA-N

InChI=1S/C37H57N12O18S.Fe/c1-17(51)47(65)12-5-8-20(38)30(57)40-21(9-6-13-48(66)18(2)52)31(58)41-22(10-7-14-49(67)19(3)53)32(59)42-23(16-50)33(60)44-25(35(61)62)26(54)29-27(55)28(56)34(68-29)46-15-11-24(43-36(39)63)45(4)37(46)64;/h11,15,20-23,25-29,34,50,54-56H,5-10,12-14,16,38H2,1-4H3,(H2,39,63)(H,40,57)(H,41,58)(H,42,59)(H,44,60)(H,61,62);/q-3;+3/b43-24+;/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	C37H57N12O18S
Molecular Weight	989.983
Charge	-3
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry
Defined Stereocenters	10 / 10
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:00:15 GMT 2025` Edited by `admin` on `Mon Mar 31 21:00:15 GMT 2025`
Record UNII	H76824799X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALBOMYCIN .DELTA.2

Common Name

English

RO-5-2667

Preferred Name

English

Code System Code Type Description

SMS_ID

300000038514

Created by admin on Mon Mar 31 21:00:15 GMT 2025 , Edited by admin on Mon Mar 31 21:00:15 GMT 2025

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PUBCHEM

90479121

Created by admin on Mon Mar 31 21:00:15 GMT 2025 , Edited by admin on Mon Mar 31 21:00:15 GMT 2025

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FDA UNII

H76824799X

Created by admin on Mon Mar 31 21:00:15 GMT 2025 , Edited by admin on Mon Mar 31 21:00:15 GMT 2025

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CAS

34755-52-7

Created by admin on Mon Mar 31 21:00:15 GMT 2025 , Edited by admin on Mon Mar 31 21:00:15 GMT 2025

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