Surfactin A3

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 Search

SMILES

CCCCCCCCCC[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=DYQNGADVFWUNLD-RHKAOURMSA-N

InChI=1S/C51H89N7O13/c1-12-13-14-15-16-17-18-19-20-34-27-41(59)52-35(21-22-42(60)61)45(64)53-36(23-29(2)3)46(65)55-38(25-31(6)7)49(68)58-44(33(10)11)50(69)56-39(28-43(62)63)48(67)54-37(24-30(4)5)47(66)57-40(26-32(8)9)51(70)71-34/h29-40,44H,12-28H2,1-11H3,(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

Molecular Formula	C51H89N7O13
Molecular Weight	1008.2915
Charge	0
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 21:17:58 GMT 2025` Edited by `admin` on `Wed Apr 02 21:17:58 GMT 2025`
Record UNII	57X2K43UKG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Surfactin A3

Common Name

English

Surfactin C13

Preferred Name

English

Cyclo(L-?-aspartyl-D-leucyl-L-leucyl-3-hydroxytridecanoyl-L-?-glutamyl-L-leucyl-D-leucyl-L-valyl)

Systematic Name

English

Code System Code Type Description

FDA UNII

57X2K43UKG

Created by admin on Wed Apr 02 21:17:58 GMT 2025 , Edited by admin on Wed Apr 02 21:17:58 GMT 2025

PRIMARY

CAS

93079-90-4

Created by admin on Wed Apr 02 21:17:58 GMT 2025 , Edited by admin on Wed Apr 02 21:17:58 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

132550660

Created by admin on Wed Apr 02 21:17:58 GMT 2025 , Edited by admin on Wed Apr 02 21:17:58 GMT 2025

PRIMARY