ALBOMYCIN .DELTA.1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H54N10O18S.Fe.H
Molecular Weight	1003.788
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H+].[Fe+3].[H][C@@]1(S[C@H]([C@H](O)[C@H]1O)N2C=CC(=O)N(C)C2=O)[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

InChI

InChIKey=KKRRFZFRCNSVCL-DFBZBFILSA-N

InChI=1S/C36H55N10O18S.Fe/c1-17(48)44(62)12-5-8-20(37)30(55)38-21(9-6-13-45(63)18(2)49)31(56)39-22(10-7-14-46(64)19(3)50)32(57)40-23(16-47)33(58)41-25(35(59)60)26(52)29-27(53)28(54)34(65-29)43-15-11-24(51)42(4)36(43)61;/h11,15,20-23,25-29,34,47,52-54H,5-10,12-14,16,37H2,1-4H3,(H,38,55)(H,39,56)(H,40,57)(H,41,58)(H,59,60);/q-3;+3/t20-,21-,22-,23-,25+,26-,27+,28+,29+,34+;/m0./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	Fe
Molecular Weight	55.845
Charge	3
Count

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

Molecular Formula	C36H54N10O18S
Molecular Weight	946.935
Charge	-4
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:19:54 GMT 2023` Edited by `admin` on `Sat Dec 16 08:19:54 GMT 2023`
Record UNII	3320C39EKU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALBOMYCIN .DELTA.1

Common Name

English

Code System Code Type Description

PUBCHEM

90479120

Created by admin on Sat Dec 16 08:19:54 GMT 2023 , Edited by admin on Sat Dec 16 08:19:54 GMT 2023

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CAS

12676-11-8

Created by admin on Sat Dec 16 08:19:54 GMT 2023 , Edited by admin on Sat Dec 16 08:19:54 GMT 2023

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FDA UNII

3320C39EKU

Created by admin on Sat Dec 16 08:19:54 GMT 2023 , Edited by admin on Sat Dec 16 08:19:54 GMT 2023

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