U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C51H89N7O13
Molecular Weight 1008.2915
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Surfactin A1

SMILES

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=PBEDWPIWZYHNPL-RHKAOURMSA-N
InChI=1S/C51H89N7O13/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)/t34-,35+,36+,37-,38-,39+,40+,44+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Surfactin A1
Preferred Name English
Code System Code Type Description
PUBCHEM
70789014
Created by admin on Wed Apr 02 19:31:13 GMT 2025 , Edited by admin on Wed Apr 02 19:31:13 GMT 2025
PRIMARY
CAS
150949-31-8
Created by admin on Wed Apr 02 19:31:13 GMT 2025 , Edited by admin on Wed Apr 02 19:31:13 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
CAS
2387637-97-8
Created by admin on Wed Apr 02 19:31:13 GMT 2025 , Edited by admin on Wed Apr 02 19:31:13 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
E5UL4K2TAR
Created by admin on Wed Apr 02 19:31:13 GMT 2025 , Edited by admin on Wed Apr 02 19:31:13 GMT 2025
PRIMARY
CAS
1419881-43-8
Created by admin on Wed Apr 02 19:31:13 GMT 2025 , Edited by admin on Wed Apr 02 19:31:13 GMT 2025
PRIMARY