Sodium surfactin B1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H89N7O13.2Na
Molecular Weight	1066.2817
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC([O-])=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC([O-])=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1

InChI

InChIKey=YILNRBQUOLXICK-FRYXLNQLSA-L

InChI=1S/C52H91N7O13.2Na/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35;;/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64);;/q;2*+1/p-2/t35-,36+,37+,38-,39-,40+,41+,45+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

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

Molecular Formula	C52H89N7O13
Molecular Weight	1020.3022
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:47:05 GMT 2025` Edited by `admin` on `Wed Apr 02 19:47:05 GMT 2025`
Record UNII	7L9ND5M2JD
Record Status	`Validated (UNII)`
Record Version

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Sodium surfactin B1

Preferred Name

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Code System Code Type Description

PUBCHEM

171390197

Created by admin on Wed Apr 02 19:47:05 GMT 2025 , Edited by admin on Wed Apr 02 19:47:05 GMT 2025

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FDA UNII

7L9ND5M2JD

Created by admin on Wed Apr 02 19:47:05 GMT 2025 , Edited by admin on Wed Apr 02 19:47:05 GMT 2025

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