Sodium surfactin A1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C51H87N7O13.2Na
Molecular Weight	1052.2551
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].CC(C)CCCCCCC[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=ZACKLXROOYWGEU-XPEUZFKJSA-L

InChI=1S/C51H89N7O13.2Na/c1-28(2)18-16-14-13-15-17-19-34-26-41(59)52-35(20-21-42(60)61)45(64)53-36(22-29(3)4)46(65)55-38(24-31(7)8)49(68)58-44(33(11)12)50(69)56-39(27-43(62)63)48(67)54-37(23-30(5)6)47(66)57-40(25-32(9)10)51(70)71-34;;/h28-40,44H,13-27H2,1-12H3,(H,52,59)(H,53,64)(H,54,67)(H,55,65)(H,56,69)(H,57,66)(H,58,68)(H,60,61)(H,62,63);;/q;2*+1/p-2/t34-,35+,36+,37-,38-,39+,40+,44+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C51H87N7O13
Molecular Weight	1006.2756
Charge	-2
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:41:01 GMT 2025` Edited by `admin` on `Wed Apr 02 20:41:01 GMT 2025`
Record UNII	BS8267RTW6
Record Status	`Validated (UNII)`
Record Version

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Sodium surfactin A1

Preferred Name

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Code System Code Type Description

FDA UNII

BS8267RTW6

Created by admin on Wed Apr 02 20:41:01 GMT 2025 , Edited by admin on Wed Apr 02 20:41:01 GMT 2025

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PUBCHEM

171390246

Created by admin on Wed Apr 02 20:41:01 GMT 2025 , Edited by admin on Wed Apr 02 20:41:01 GMT 2025

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